2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide

C23H22ClN3O2 — CID 9106367

IUPAC2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C23H22ClN3O2/c1-15-7-10-17(11-8-15)26-23(29)18-5-3-4-6-20(18)25-14-22(28)27-21-12-9-16(2)13-19(21)24/h3-13,25H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIUCGSFOZMVOKCJ-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.26
Rot. Bonds6

About 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide

2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide (PubChem CID 9106367) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
PubChem CID9106367
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C23H22ClN3O2/c1-15-7-10-17(11-8-15)26-23(29)18-5-3-4-6-20(18)25-14-22(28)27-21-12-9-16(2)13-19(21)24/h3-13,25H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyIUCGSFOZMVOKCJ-UHFFFAOYSA-N
XLogP5.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide (CID 9106367) is 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
The InChIKey is IUCGSFOZMVOKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-15-7-10-17(11-8-15)26-23(29)18-5-3-4-6-20(18)25-14-22(28)27-21-12-9-16(2)13-19(21)24/h3-13,25H,14H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide has a molecular weight of 407.90 g/mol, XLogP of 5.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 9106367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).