N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide

C23H21ClN2O2 — CID 8502250

IUPACN-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-16-12-13-19(24)14-20(16)25-22(27)15-21(17-8-4-2-5-9-17)26-23(28)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyJXKAGEYHANCDKM-NRFANRHFSA-N
MW392.89 g/mol
LogP5.15
Rot. Bonds6

About N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 8502250) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID8502250
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-16-12-13-19(24)14-20(16)25-22(27)15-21(17-8-4-2-5-9-17)26-23(28)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1
InChIKeyJXKAGEYHANCDKM-NRFANRHFSA-N
XLogP5.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]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

N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 46797658
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
[2-(2-methylanilino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 2607431
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795375
methyl 3-[[(3R)-3-acetamido-3-phenylpropanoyl]amino]-4-methylbenzoate
CID 8920175
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide (CID 8502250) is N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide is Cc1ccc(Cl)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is JXKAGEYHANCDKM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-16-12-13-19(24)14-20(16)25-22(27)15-21(17-8-4-2-5-9-17)26-23(28)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 392.89 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 8502250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).