(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H20BrN3O3 — CID 51729548

IUPAC(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1
InChIInChI=1S/C20H20BrN3O3/c1-23(2)20(27)13-7-9-15(10-8-13)22-19(26)14-11-18(25)24(12-14)17-6-4-3-5-16(17)21/h3-10,14H,11-12H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyAZLQZPHGDNAARI-AWEZNQCLSA-N
MW430.30 g/mol
LogP3.14
Rot. Bonds4

About (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51729548) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51729548
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1
InChIInChI=1S/C20H20BrN3O3/c1-23(2)20(27)13-7-9-15(10-8-13)22-19(26)14-11-18(25)24(12-14)17-6-4-3-5-16(17)21/h3-10,14H,11-12H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyAZLQZPHGDNAARI-AWEZNQCLSA-N
XLogP3.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-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

1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
1-(2-bromophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953141
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
methyl 2-[4-[(4-methoxycarbonylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189228
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
(3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8503756
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 51729548) is (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1.
What is the InChIKey of (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AZLQZPHGDNAARI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-23(2)20(27)13-7-9-15(10-8-13)22-19(26)14-11-18(25)24(12-14)17-6-4-3-5-16(17)21/h3-10,14H,11-12H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51729548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).