(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H18BrClN2O2 — CID 1260387

IUPAC(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C19H18BrClN2O2/c1-11-12(2)17(7-6-16(11)20)22-19(25)13-8-18(24)23(10-13)15-5-3-4-14(21)9-15/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyRLXFRESIRKLQMW-CYBMUJFWSA-N
MW421.72 g/mol
LogP4.71
Rot. Bonds3

About (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1260387) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1260387
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC Name(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C
InChIInChI=1S/C19H18BrClN2O2/c1-11-12(2)17(7-6-16(11)20)22-19(25)13-8-18(24)23(10-13)15-5-3-4-14(21)9-15/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyRLXFRESIRKLQMW-CYBMUJFWSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964360
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
(3S)-N-(4-bromo-3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004452
(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51935639
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
(3S)-N-(2-bromophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7449865
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50838030
(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005208
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 1260387) is (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C.
What is the InChIKey of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RLXFRESIRKLQMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c1-11-12(2)17(7-6-16(11)20)22-19(25)13-8-18(24)23(10-13)15-5-3-4-14(21)9-15/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.72 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1260387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).