CAS 15145-35-4 | Urea, N-(2-chloroethyl)-N'-(4-methylphenyl)- | CAS Number 15145-35-4

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15145-35-4 | Urea, N-(2-chloroethyl)-N'-(4-methylphenyl)-

CAS No: 15145-35-4 Catalog No: AG001ND3 MDL No:

Product Description

Catalog Number:

AG001ND3

Chemical Name:

Urea, N-(2-chloroethyl)-N'-(4-methylphenyl)-

CAS Number:

15145-35-4

Molecular Formula:

C10H13ClN2O

Molecular Weight:

212.6760

IUPAC Name:

1-(2-chloroethyl)-3-(4-methylphenyl)urea

InChI:

InChI=1S/C10H13ClN2O/c1-8-2-4-9(5-3-8)13-10(14)12-7-6-11/h2-5H,6-7H2,1H3,(H2,12,13,14)

InChI Key:

RXGRUNSDJGLKQI-UHFFFAOYSA-N

SMILES:

ClCCNC(=O)Nc1ccc(cc1)C

NSC Number:

100830

Properties

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.677g/mol

Monoisotopic Mass:

212.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Aromatic 2-chloroethyl urea derivatives and bioisosteres. Part 2: Cytocidal activity and effects on the nuclear translocation of thioredoxin-1, and the cell cycle progression.	Bioorganic & medicinal chemistry 20080801
A comparative molecular field and comparative molecular similarity indices analyses (CoMFA and CoMSIA) of N-phenyl-N'-(2-chloroethyl)ureas targeting the colchicine-binding site as anticancer agents.	Bioorganic & medicinal chemistry 20080215
Alkylation potency and protein specificity of aromatic urea derivatives and bioisosteres as potential irreversible antagonists of the colchicine-binding site.	Bioorganic & medicinal chemistry 20070701
Antimitotic antitumor agents: synthesis, structure-activity relationships, and biological characterization of N-aryl-N'-(2-chloroethyl)ureas as new selective alkylating agents.	Journal of medicinal chemistry 20010301