1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20ClN3O3 — CID 50838030

IUPAC1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2CC(C(=O)Nc3cccc(Cl)c3C)CC2=O)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-17(21)7-4-8-18(12)23-20(27)14-9-19(26)24(11-14)16-6-3-5-15(10-16)22-13(2)25/h3-8,10,14H,9,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeySBRCAERZYWGFTR-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50838030) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50838030
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2CC(C(=O)Nc3cccc(Cl)c3C)CC2=O)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-17(21)7-4-8-18(12)23-20(27)14-9-19(26)24(11-14)16-6-3-5-15(10-16)22-13(2)25/h3-8,10,14H,9,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeySBRCAERZYWGFTR-UHFFFAOYSA-N
XLogP3.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005208
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916553

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 50838030) is 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(N2CC(C(=O)Nc3cccc(Cl)c3C)CC2=O)c1.
What is the InChIKey of 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SBRCAERZYWGFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-17(21)7-4-8-18(12)23-20(27)14-9-19(26)24(11-14)16-6-3-5-15(10-16)22-13(2)25/h3-8,10,14H,9,11H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50838030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).