CAS 23600-44-4 | Benzamide, N-(4-aminophenyl)-4-methyl- | CAS Number 23600-44-4

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23600-44-4 | Benzamide, N-(4-aminophenyl)-4-methyl-

CAS No: 23600-44-4 Catalog No: AG002NUW MDL No:MFCD00441123

Product Description

Catalog Number:

AG002NUW

Chemical Name:

Benzamide, N-(4-aminophenyl)-4-methyl-

CAS Number:

23600-44-4

Molecular Formula:

C14H14N2O

Molecular Weight:

226.2738

MDL Number:

MFCD00441123

IUPAC Name:

N-(4-aminophenyl)-4-methylbenzamide

InChI:

InChI=1S/C14H14N2O/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,15H2,1H3,(H,16,17)

InChI Key:

JDHKVOPFSRGZMT-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.279g/mol

Monoisotopic Mass:

226.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Cyclooxygenase-1-selective inhibitors are attractive candidates for analgesics that do not cause gastric damage. design and in vitro/in vivo evaluation of a benzamide-type cyclooxygenase-1 selective inhibitor.	Journal of medicinal chemistry 20080424