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

C22H20ClN3O2 — CID 18205586

IUPACN-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-15-6-10-17(11-7-15)25-21(27)14-24-20-5-3-2-4-19(20)22(28)26-18-12-8-16(23)9-13-18/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyFQSVQXKWMMUBNN-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.95
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 18205586) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID18205586
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClN3O2/c1-15-6-10-17(11-7-15)25-21(27)14-24-20-5-3-2-4-19(20)22(28)26-18-12-8-16(23)9-13-18/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyFQSVQXKWMMUBNN-UHFFFAOYSA-N
XLogP4.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106367
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78815790
2-(2-acetamidoanilino)-N-(4-chlorophenyl)acetamide
CID 163304116
N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
CID 24510665
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide (CID 18205586) is N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide is Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is FQSVQXKWMMUBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15-6-10-17(11-7-15)25-21(27)14-24-20-5-3-2-4-19(20)22(28)26-18-12-8-16(23)9-13-18/h2-13,24H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 393.87 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 18205586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).