2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid

C15H17F2NO3 — CID 83211631

IUPAC2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NO3/c1-15(14(20)21)7-3-2-4-12(15)18-13(19)9-5-6-10(16)11(17)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyCEVCPHCVRLTPRD-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.73
Rot. Bonds3

About 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid

2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83211631) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83211631
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NO3/c1-15(14(20)21)7-3-2-4-12(15)18-13(19)9-5-6-10(16)11(17)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyCEVCPHCVRLTPRD-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-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

2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209773
2-[(4-bromo-3-chlorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210681
2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760834
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
2-[(3-cyanobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210673
1-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214052
1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 104669963
2-(furan-3-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214058
2-[(5-fluoro-2-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211407
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(2-bromo-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83212180

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 83211631) is 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is CEVCPHCVRLTPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-15(14(20)21)7-3-2-4-12(15)18-13(19)9-5-6-10(16)11(17)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83211631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).