1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide

C16H21BrN2O2 — CID 46671576

IUPAC1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C16H21BrN2O2/c1-3-6-11(2)18-16(21)12-9-15(20)19(10-12)14-8-5-4-7-13(14)17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,21)
InChIKeyWMASUTLPKVYCAM-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide

1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide (PubChem CID 46671576) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
PubChem CID46671576
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C16H21BrN2O2/c1-3-6-11(2)18-16(21)12-9-15(20)19(10-12)14-8-5-4-7-13(14)17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,21)
InChIKeyWMASUTLPKVYCAM-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46584108
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362047
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191706
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
1-(2-bromophenyl)-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55798311
N-heptan-2-yl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687120

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide (CID 46671576) is 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide is CCCC(C)NC(=O)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is WMASUTLPKVYCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-3-6-11(2)18-16(21)12-9-15(20)19(10-12)14-8-5-4-7-13(14)17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46671576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).