4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H10F3NO3 — CID 79209881

IUPAC4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H10F3NO3/c14-9-4-7(5-10(15)11(9)16)12(18)17-8-2-1-6(3-8)13(19)20/h1-2,4-6,8H,3H2,(H,17,18)(H,19,20)
InChIKeyFVIGEXGHQSHOJZ-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.86
Rot. Bonds3

About 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209881) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209881
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H10F3NO3/c14-9-4-7(5-10(15)11(9)16)12(18)17-8-2-1-6(3-8)13(19)20/h1-2,4-6,8H,3H2,(H,17,18)(H,19,20)
InChIKeyFVIGEXGHQSHOJZ-UHFFFAOYSA-N
XLogP1.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(3,4,5-trifluorobenzoyl)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-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
4-[(3-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209105
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
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-[(4-bromo-2-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210007
4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209097
4-[(5-bromothiophene-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208530
4-[(3-bromo-4-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 107997987
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119
4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216940

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79209881) is 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is FVIGEXGHQSHOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-9-4-7(5-10(15)11(9)16)12(18)17-8-2-1-6(3-8)13(19)20/h1-2,4-6,8H,3H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).