1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C15H18FNO3 — CID 24691531

IUPAC1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H18FNO3/c16-12-6-4-11(5-7-12)10-13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20)
InChIKeyYSJHOVQIKXHMIX-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.27
Rot. Bonds4

About 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 24691531) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID24691531
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H18FNO3/c16-12-6-4-11(5-7-12)10-13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20)
InChIKeyYSJHOVQIKXHMIX-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 24691531) is 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cc1ccc(F)cc1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YSJHOVQIKXHMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-6-4-11(5-7-12)10-13(18)17-15(14(19)20)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24691531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).