2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid

C15H18FNO4 — CID 107013634

IUPAC2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2c(O)cccc2F)CCCCC1
InChIInChI=1S/C15H18FNO4/c16-10-5-4-6-11(18)13(10)14(21)17-15(9-12(19)20)7-2-1-3-8-15/h4-6,18H,1-3,7-9H2,(H,17,21)(H,19,20)
InChIKeyIIBCJHQEYHZVTN-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.44
Rot. Bonds4

About 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid

2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 107013634) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
PubChem CID107013634
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2c(O)cccc2F)CCCCC1
InChIInChI=1S/C15H18FNO4/c16-10-5-4-6-11(18)13(10)14(21)17-15(9-12(19)20)7-2-1-3-8-15/h4-6,18H,1-3,7-9H2,(H,17,21)(H,19,20)
InChIKeyIIBCJHQEYHZVTN-UHFFFAOYSA-N
XLogP2.44
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607
N-[1-(bromomethyl)cyclopropyl]-2-fluoro-6-hydroxybenzamide
CID 107016999
2-[1-(1H-pyrrole-2-carbonylamino)cyclohexyl]acetic acid
CID 64670962
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
1-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107013778
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
CID 65432344
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
CID 64672590
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid (CID 107013634) is 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2c(O)cccc2F)CCCCC1.
What is the InChIKey of 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is IIBCJHQEYHZVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-10-5-4-6-11(18)13(10)14(21)17-15(9-12(19)20)7-2-1-3-8-15/h4-6,18H,1-3,7-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 107013634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).