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

C16H19BrN2O2 — CID 113188040

IUPAC1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H19BrN2O2/c17-12-5-7-14(8-6-12)19-10-11(9-15(19)20)16(21)18-13-3-1-2-4-13/h5-8,11,13H,1-4,9-10H2,(H,18,21)
InChIKeyMUHWRVCUJAWCMJ-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.86
Rot. Bonds3

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

1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113188040) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113188040
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H19BrN2O2/c17-12-5-7-14(8-6-12)19-10-11(9-15(19)20)16(21)18-13-3-1-2-4-13/h5-8,11,13H,1-4,9-10H2,(H,18,21)
InChIKeyMUHWRVCUJAWCMJ-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-N-cyclopentyl-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

N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
N-cyclooctyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42996336
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 113188040) is 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCC1)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MUHWRVCUJAWCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-12-5-7-14(8-6-12)19-10-11(9-15(19)20)16(21)18-13-3-1-2-4-13/h5-8,11,13H,1-4,9-10H2,(H,18,21).
What are the key properties of 1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 2.86, 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-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113188040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).