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

C14H16FNO4 — CID 107013377

IUPAC1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNO4/c15-9-4-5-10(11(17)8-9)12(18)16-14(13(19)20)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7H2,(H,16,18)(H,19,20)
InChIKeySIEZMXUWKPKIBS-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.05
Rot. Bonds3

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

1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107013377) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107013377
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C14H16FNO4/c15-9-4-5-10(11(17)8-9)12(18)16-14(13(19)20)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7H2,(H,16,18)(H,19,20)
InChIKeySIEZMXUWKPKIBS-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61158524
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402965
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341197
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 107013377) is 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc(F)cc1O.
What is the InChIKey of 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SIEZMXUWKPKIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-9-4-5-10(11(17)8-9)12(18)16-14(13(19)20)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7H2,(H,16,18)(H,19,20).
What are the key properties of 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107013377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).