1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid

C17H22FNO4 — CID 119168045

IUPAC1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid
SMILESCCC(Oc1ccccc1F)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H22FNO4/c1-2-13(23-14-9-5-4-8-12(14)18)15(20)19-17(16(21)22)10-6-3-7-11-17/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeySBOUJCLEMCWCIM-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid

1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119168045) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119168045
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid
SMILESCCC(Oc1ccccc1F)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H22FNO4/c1-2-13(23-14-9-5-4-8-12(14)18)15(20)19-17(16(21)22)10-6-3-7-11-17/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeySBOUJCLEMCWCIM-UHFFFAOYSA-N
XLogP2.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164696
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119168113
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
1-[[2-(2-fluorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545014
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid (CID 119168045) is 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid is CCC(Oc1ccccc1F)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SBOUJCLEMCWCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-2-13(23-14-9-5-4-8-12(14)18)15(20)19-17(16(21)22)10-6-3-7-11-17/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 323.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119168045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).