(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide

C21H20ClN3O3 — CID 26955907

IUPAC(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C21H20ClN3O3/c22-17-7-1-2-8-18(17)25-13-14(11-20(25)27)21(28)23-15-5-3-6-16(12-15)24-10-4-9-19(24)26/h1-3,5-8,12,14H,4,9-11,13H2,(H,23,28)/t14-/m1/s1
InChIKeyUMZIEHUHDQDJPT-CQSZACIVSA-N
MW397.86 g/mol
LogP3.46
Rot. Bonds4

About (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 26955907) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID26955907
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C21H20ClN3O3/c22-17-7-1-2-8-18(17)25-13-14(11-20(25)27)21(28)23-15-5-3-6-16(12-15)24-10-4-9-19(24)26/h1-3,5-8,12,14H,4,9-11,13H2,(H,23,28)/t14-/m1/s1
InChIKeyUMZIEHUHDQDJPT-CQSZACIVSA-N
XLogP3.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42932599
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 26955907) is (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UMZIEHUHDQDJPT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-17-7-1-2-8-18(17)25-13-14(11-20(25)27)21(28)23-15-5-3-6-16(12-15)24-10-4-9-19(24)26/h1-3,5-8,12,14H,4,9-11,13H2,(H,23,28)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 26955907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).