3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid

C14H16FNO4 — CID 107013540

IUPAC3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNO4/c15-9-4-5-11(12(17)7-9)13(18)16-10-3-1-2-8(6-10)14(19)20/h4-5,7-8,10,17H,1-3,6H2,(H,16,18)(H,19,20)
InChIKeyZZRXJPYNNLRUBY-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.90
Rot. Bonds3

About 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107013540) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107013540
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNO4/c15-9-4-5-11(12(17)7-9)13(18)16-10-3-1-2-8(6-10)14(19)20/h4-5,7-8,10,17H,1-3,6H2,(H,16,18)(H,19,20)
InChIKeyZZRXJPYNNLRUBY-UHFFFAOYSA-N
XLogP1.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634
N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
CID 96562007
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
4-fluoro-2-hydroxy-N-(oxetan-3-yl)benzamide
CID 107015702
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
3-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043354

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 107013540) is 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1ccc(F)cc1O.
What is the InChIKey of 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZZRXJPYNNLRUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-9-4-5-11(12(17)7-9)13(18)16-10-3-1-2-8(6-10)14(19)20/h4-5,7-8,10,17H,1-3,6H2,(H,16,18)(H,19,20).
What are the key properties of 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107013540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).