(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19ClN2O2 — CID 9004912

IUPAC(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1
InChIInChI=1S/C19H19ClN2O2/c1-12-6-7-13(2)17(8-12)22-11-14(9-18(22)23)19(24)21-16-5-3-4-15(20)10-16/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeySMUQQQCGFOSANC-AWEZNQCLSA-N
MW342.83 g/mol
LogP3.95
Rot. Bonds3

About (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9004912) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9004912
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1
InChIInChI=1S/C19H19ClN2O2/c1-12-6-7-13(2)17(8-12)22-11-14(9-18(22)23)19(24)21-16-5-3-4-15(20)10-16/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeySMUQQQCGFOSANC-AWEZNQCLSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide 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-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
1-(2,5-dimethylphenyl)-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 10126481
1-(5-chloro-2-methylphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187608
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102
(3R)-1-(3-chloro-2-methylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 970364
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
1-(2,5-dimethylphenyl)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 10216260
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187647
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 54792505

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9004912) is (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1.
What is the InChIKey of (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SMUQQQCGFOSANC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-6-7-13(2)17(8-12)22-11-14(9-18(22)23)19(24)21-16-5-3-4-15(20)10-16/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9004912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).