(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H20BrClN2O2 — CID 1260188

IUPAC(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C20H20BrClN2O2/c1-3-13-8-15(21)5-7-18(13)23-20(26)14-9-19(25)24(11-14)16-6-4-12(2)17(22)10-16/h4-8,10,14H,3,9,11H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyOGNNSEXWXAUCJW-CQSZACIVSA-N
MW435.75 g/mol
LogP4.96
Rot. Bonds4

About (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1260188) has the molecular formula C20H20BrClN2O2 and a molecular weight of 435.75 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1260188
Molecular FormulaC20H20BrClN2O2
Molecular Weight435.75 g/mol
Exact Mass434.04
IUPAC Name(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C20H20BrClN2O2/c1-3-13-8-15(21)5-7-18(13)23-20(26)14-9-19(25)24(11-14)16-6-4-12(2)17(22)10-16/h4-8,10,14H,3,9,11H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyOGNNSEXWXAUCJW-CQSZACIVSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-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

(3R)-N-(4-bromo-2-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260237
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004445
(3S)-N-(2-bromophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7449865
(3R)-N-(4-bromo-2-ethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004583
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2889867
1-(3-chloro-4-methylphenyl)-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84987956
N-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17225392
1-(3-chloro-4-methylphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3153872
(3R)-1-(3-chloro-4-methylphenyl)-N-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9352106
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
(3S)-N-(4-bromo-2-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260449

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 1260188) is (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGNNSEXWXAUCJW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20BrClN2O2/c1-3-13-8-15(21)5-7-18(13)23-20(26)14-9-19(25)24(11-14)16-6-4-12(2)17(22)10-16/h4-8,10,14H,3,9,11H2,1-2H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.75 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2-ethylphenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1260188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).