4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H11BrFNO3 — CID 79210007

IUPAC4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFNO3/c14-8-2-4-10(11(15)6-8)12(17)16-9-3-1-7(5-9)13(18)19/h1-4,6-7,9H,5H2,(H,16,17)(H,18,19)
InChIKeyACQUDICJCAMROU-UHFFFAOYSA-N
MW328.14 g/mol
LogP2.35
Rot. Bonds3

About 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79210007) has the molecular formula C13H11BrFNO3 and a molecular weight of 328.14 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79210007
Molecular FormulaC13H11BrFNO3
Molecular Weight328.14 g/mol
Exact Mass326.99
IUPAC Name4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFNO3/c14-8-2-4-10(11(15)6-8)12(17)16-9-3-1-7(5-9)13(18)19/h1-4,6-7,9H,5H2,(H,16,17)(H,18,19)
InChIKeyACQUDICJCAMROU-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid 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

4-[(2,4-difluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209546
4-[(3-bromobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209780
4-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide
CID 60704822
4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209881
4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209654
4-[(3-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209105
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79210007) is 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ACQUDICJCAMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3/c14-8-2-4-10(11(15)6-8)12(17)16-9-3-1-7(5-9)13(18)19/h1-4,6-7,9H,5H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 328.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79210007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).