2-(cyclohexylamino)-4,5-difluorobenzoic acid

C13H15F2NO2 — CID 82933532

IUPAC2-(cyclohexylamino)-4,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(F)cc1NC1CCCCC1
InChIInChI=1S/C13H15F2NO2/c14-10-6-9(13(17)18)12(7-11(10)15)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2,(H,17,18)
InChIKeyWKUFKAJUXUYQML-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.41
Rot. Bonds3

About 2-(cyclohexylamino)-4,5-difluorobenzoic acid

2-(cyclohexylamino)-4,5-difluorobenzoic acid (PubChem CID 82933532) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4,5-difluorobenzoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-4,5-difluorobenzoic acid
PubChem CID82933532
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-(cyclohexylamino)-4,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(F)cc1NC1CCCCC1
InChIInChI=1S/C13H15F2NO2/c14-10-6-9(13(17)18)12(7-11(10)15)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2,(H,17,18)
InChIKeyWKUFKAJUXUYQML-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
2-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]prop-2-enoic acid
CID 89119398
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
4,5-difluoro-2-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361376
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
4,5-difluoro-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913876

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4,5-difluorobenzoic acid?
The IUPAC name of 2-(cyclohexylamino)-4,5-difluorobenzoic acid (CID 82933532) is 2-(cyclohexylamino)-4,5-difluorobenzoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-4,5-difluorobenzoic acid?
The canonical SMILES for 2-(cyclohexylamino)-4,5-difluorobenzoic acid is O=C(O)c1cc(F)c(F)cc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-4,5-difluorobenzoic acid?
The InChIKey is WKUFKAJUXUYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-6-9(13(17)18)12(7-11(10)15)16-8-4-2-1-3-5-8/h6-8,16H,1-5H2,(H,17,18).
What are the key properties of 2-(cyclohexylamino)-4,5-difluorobenzoic acid?
2-(cyclohexylamino)-4,5-difluorobenzoic acid has a molecular weight of 255.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4,5-difluorobenzoic acid is sourced from PubChem (CID 82933532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).