3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H15F2NO3 — CID 63044539

IUPAC3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3/c15-10-4-9(5-11(16)7-10)13(18)17-12-3-1-2-8(6-12)14(19)20/h4-5,7-8,12H,1-3,6H2,(H,17,18)(H,19,20)
InChIKeyILRCNERHKFRSJQ-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.34
Rot. Bonds3

About 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63044539) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63044539
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3/c15-10-4-9(5-11(16)7-10)13(18)17-12-3-1-2-8(6-12)14(19)20/h4-5,7-8,12H,1-3,6H2,(H,17,18)(H,19,20)
InChIKeyILRCNERHKFRSJQ-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
3-[(3-amino-4-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042958
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63044539) is 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ILRCNERHKFRSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-10-4-9(5-11(16)7-10)13(18)17-12-3-1-2-8(6-12)14(19)20/h4-5,7-8,12H,1-3,6H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).