N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

C11H10BrFN2O2 — CID 103754877

IUPACN-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(F)ccc2Br)N1
InChIInChI=1S/C11H10BrFN2O2/c12-7-2-1-6(13)5-9(7)15-11(17)8-3-4-10(16)14-8/h1-2,5,8H,3-4H2,(H,14,16)(H,15,17)
InChIKeyQZHSZTDAUVELCH-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.81
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 103754877) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID103754877
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC NameN-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(F)ccc2Br)N1
InChIInChI=1S/C11H10BrFN2O2/c12-7-2-1-6(13)5-9(7)15-11(17)8-3-4-10(16)14-8/h1-2,5,8H,3-4H2,(H,14,16)(H,15,17)
InChIKeyQZHSZTDAUVELCH-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-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

(2S)-N-(2-amino-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 95039569
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
CID 60814898
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800
(3S)-N-(2,5-difluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986397
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 103754877) is N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2cc(F)ccc2Br)N1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QZHSZTDAUVELCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c12-7-2-1-6(13)5-9(7)15-11(17)8-3-4-10(16)14-8/h1-2,5,8H,3-4H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 301.12 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 103754877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).