N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C19H18BrClN2O2 — CID 42997343

IUPACN-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H18BrClN2O2/c20-15-6-7-17(16(21)11-15)22-19(25)14-10-18(24)23(12-14)9-8-13-4-2-1-3-5-13/h1-7,11,14H,8-10,12H2,(H,22,25)
InChIKeyDKWLLDLWALPKOL-UHFFFAOYSA-N
MW421.72 g/mol
LogP4.13
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 42997343) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID42997343
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC NameN-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Cl)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H18BrClN2O2/c20-15-6-7-17(16(21)11-15)22-19(25)14-10-18(24)23(12-14)9-8-13-4-2-1-3-5-13/h1-7,11,14H,8-10,12H2,(H,22,25)
InChIKeyDKWLLDLWALPKOL-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
(3R)-N-(4-bromo-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51548209
N-(4-bromo-2-chlorophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082692
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
(3S)-N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51878899
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898688
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 2604219
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 42997343) is N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Br)cc1Cl)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is DKWLLDLWALPKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c20-15-6-7-17(16(21)11-15)22-19(25)14-10-18(24)23(12-14)9-8-13-4-2-1-3-5-13/h1-7,11,14H,8-10,12H2,(H,22,25).
What are the key properties of N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 421.72 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42997343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).