CAS 100721-33-3 | Acetamide, 2-chloro-N-cyclohexyl-N-phenyl- | CAS Number 100721-33-3

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100721-33-3 | Acetamide, 2-chloro-N-cyclohexyl-N-phenyl-

CAS No: 100721-33-3 Catalog No: AG0002QK MDL No:MFCD01566907

Product Description

Catalog Number:

AG0002QK

Chemical Name:

Acetamide, 2-chloro-N-cyclohexyl-N-phenyl-

CAS Number:

100721-33-3

Molecular Formula:

C14H18ClNO

Molecular Weight:

251.7518

MDL Number:

MFCD01566907

IUPAC Name:

2-chloro-N-cyclohexyl-N-phenylacetamide

InChI:

InChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2

InChI Key:

WDAVIQBJLVXQGA-UHFFFAOYSA-N

SMILES:

ClCC(=O)N(c1ccccc1)C1CCCCC1

Properties

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.108g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.754g/mol

Monoisotopic Mass:

251.108g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.	Journal of medicinal chemistry 20120726
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501