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

C22H22ClN3O3 — CID 17401411

IUPAC1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C22H22ClN3O3/c23-17-7-2-1-6-15(17)13-25-14-16(12-21(25)28)22(29)24-18-8-3-4-9-19(18)26-11-5-10-20(26)27/h1-4,6-9,16H,5,10-14H2,(H,24,29)
InChIKeyBTYIKGWTCKAOMZ-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.45
Rot. Bonds5

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

1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17401411) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17401411
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)C1CC(=O)N(Cc2ccccc2Cl)C1
InChIInChI=1S/C22H22ClN3O3/c23-17-7-2-1-6-15(17)13-25-14-16(12-21(25)28)22(29)24-18-8-3-4-9-19(18)26-11-5-10-20(26)27/h1-4,6-9,16H,5,10-14H2,(H,24,29)
InChIKeyBTYIKGWTCKAOMZ-UHFFFAOYSA-N
XLogP3.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9097492
(3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8865073
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
1-[(2-chlorophenyl)methyl]-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42651418
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
(3S)-N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8712834
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 17401411) is 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1=O)C1CC(=O)N(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is BTYIKGWTCKAOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-17-7-2-1-6-15(17)13-25-14-16(12-21(25)28)22(29)24-18-8-3-4-9-19(18)26-11-5-10-20(26)27/h1-4,6-9,16H,5,10-14H2,(H,24,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17401411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).