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

C20H21ClN2O2 — CID 9005208

IUPAC(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1
InChIInChI=1S/C20H21ClN2O2/c1-12-7-13(2)9-16(8-12)23-11-15(10-19(23)24)20(25)22-18-6-4-5-17(21)14(18)3/h4-9,15H,10-11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyKOYXUXLCDLCUJB-HNNXBMFYSA-N
MW356.85 g/mol
LogP4.26
Rot. Bonds3

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

(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9005208) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9005208
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1
InChIInChI=1S/C20H21ClN2O2/c1-12-7-13(2)9-16(8-12)23-11-15(10-19(23)24)20(25)22-18-6-4-5-17(21)14(18)3/h4-9,15H,10-11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyKOYXUXLCDLCUJB-HNNXBMFYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50838030
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916553
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192015
(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
(3R)-N-(2,6-dimethylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005185
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
N-(3-chloro-2-methylphenyl)-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186614
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9005208) is (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1.
What is the InChIKey of (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KOYXUXLCDLCUJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-12-7-13(2)9-16(8-12)23-11-15(10-19(23)24)20(25)22-18-6-4-5-17(21)14(18)3/h4-9,15H,10-11H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9005208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).