1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

C13H15BrN2O2 — CID 652443

IUPAC1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H15BrN2O2/c1-2-15-13(18)9-7-12(17)16(8-9)11-5-3-10(14)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,15,18)
InChIKeyCBAHFESLQQXEEI-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.94
Rot. Bonds3

About 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 652443) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID652443
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H15BrN2O2/c1-2-15-13(18)9-7-12(17)16(8-9)11-5-3-10(14)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,15,18)
InChIKeyCBAHFESLQQXEEI-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
1-(4-Bromophenyl)pyrrolidin-2-one
CID 736110
1-(4-Bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2912208
Propanamide, N-(4-bromophenyl)-2-methyl-
CID 532135
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3148502
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
Bromamid
CID 68839
N-(4-Bromophenyl)succinimide
CID 265738
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 9549367

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 652443) is 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CBAHFESLQQXEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-2-15-13(18)9-7-12(17)16(8-9)11-5-3-10(14)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,15,18).
What are the key properties of 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 652443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).