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

C15H18FNO4 — CID 107675131

IUPAC2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H18FNO4/c1-15(14(20)21)7-3-2-4-12(15)17-13(19)10-6-5-9(18)8-11(10)16/h5-6,8,12,18H,2-4,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyFYPKXLMQVYBPHC-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.29
Rot. Bonds3

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

2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 107675131) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID107675131
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H18FNO4/c1-15(14(20)21)7-3-2-4-12(15)17-13(19)10-6-5-9(18)8-11(10)16/h5-6,8,12,18H,2-4,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyFYPKXLMQVYBPHC-UHFFFAOYSA-N
XLogP2.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 107675131) is 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is FYPKXLMQVYBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(14(20)21)7-3-2-4-12(15)17-13(19)10-6-5-9(18)8-11(10)16/h5-6,8,12,18H,2-4,7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 107675131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).