4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid

C15H17F2NO3 — CID 107416687

IUPAC4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
SMILESCC1CCCC1CNC(=O)c1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C15H17F2NO3/c1-8-3-2-4-9(8)7-18-14(19)10-5-12(16)13(17)6-11(10)15(20)21/h5-6,8-9H,2-4,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyTVDXXQQBGDLGAF-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.83
Rot. Bonds4

About 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid

4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid (PubChem CID 107416687) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
PubChem CID107416687
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
SMILESCC1CCCC1CNC(=O)c1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C15H17F2NO3/c1-8-3-2-4-9(8)7-18-14(19)10-5-12(16)13(17)6-11(10)15(20)21/h5-6,8-9H,2-4,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyTVDXXQQBGDLGAF-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic 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

4,5-difluoro-2-[(3-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107411339
5-fluoro-2-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418921
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420316
3,5-difluoro-4-[(2-methylcyclopentyl)methylamino]benzoic acid
CID 107418977
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid (CID 107416687) is 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid is CC1CCCC1CNC(=O)c1cc(F)c(F)cc1C(=O)O.
What is the InChIKey of 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid?
The InChIKey is TVDXXQQBGDLGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-8-3-2-4-9(8)7-18-14(19)10-5-12(16)13(17)6-11(10)15(20)21/h5-6,8-9H,2-4,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid?
4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid has a molecular weight of 297.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 107416687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).