2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid

C13H15F2NO3 — CID 79837144

IUPAC2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCCCC2O)c(F)c1F
InChIInChI=1S/C13H15F2NO3/c14-11-7(13(18)19)5-6-9(12(11)15)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2,(H,18,19)
InChIKeyGGWIQMDHXTZJCZ-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.38
Rot. Bonds3

About 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid

2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid (PubChem CID 79837144) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid
PubChem CID79837144
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCCCC2O)c(F)c1F
InChIInChI=1S/C13H15F2NO3/c14-11-7(13(18)19)5-6-9(12(11)15)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2,(H,18,19)
InChIKeyGGWIQMDHXTZJCZ-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]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-[(2-aminocyclohexyl)amino]-2,3-difluorobenzoic acid
CID 79841267
2,3-difluoro-4-(pyrrolidin-3-ylamino)benzoic acid
CID 79840405
4-(2-cyclopentyloxyethylamino)-2,3-difluorobenzoic acid
CID 79840391
4-(1-cyclohexylethylamino)-2,3-difluorobenzoic acid
CID 79837521
2,3-difluoro-4-[(1-methylpyrrolidin-3-yl)amino]benzoic acid
CID 79837986
4-(dicyclopropylmethylamino)-2,3-difluorobenzoic acid
CID 79837425
2,3-difluoro-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 79835103
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
methyl 2,3-difluoro-4-[(2-methoxycyclopentyl)amino]benzoate
CID 79837709
4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
CID 79834906
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
The IUPAC name of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid (CID 79837144) is 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
The canonical SMILES for 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid is O=C(O)c1ccc(NC2CCCCC2O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
The InChIKey is GGWIQMDHXTZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c14-11-7(13(18)19)5-6-9(12(11)15)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2,(H,18,19).
What are the key properties of 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid?
2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid has a molecular weight of 271.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(2-hydroxycyclohexyl)amino]benzoic acid is sourced from PubChem (CID 79837144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).