2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

C15H18FNO4 — CID 103790786

IUPAC2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-21-9-6-7-10(12(16)8-9)14(18)17-13-5-3-2-4-11(13)15(19)20/h6-8,11,13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyNJFNSBFZOGPAOV-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.21
Rot. Bonds4

About 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 103790786) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID103790786
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-21-9-6-7-10(12(16)8-9)14(18)17-13-5-3-2-4-11(13)15(19)20/h6-8,11,13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyNJFNSBFZOGPAOV-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-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

cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
CID 97063399
2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
CID 102883992
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
2-fluoro-4-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767118
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
2-fluoro-4-methoxy-N-(2-propylcyclopropyl)benzamide
CID 103713574

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 103790786) is 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(C(=O)NC2CCCCC2C(=O)O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NJFNSBFZOGPAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-9-6-7-10(12(16)8-9)14(18)17-13-5-3-2-4-11(13)15(19)20/h6-8,11,13H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103790786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).