3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H15F2NO3 — CID 63783799

IUPAC3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H15F2NO3/c15-10-5-11(16)7-12(6-10)17-13(18)8-2-1-3-9(4-8)14(19)20/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyDDEOGYJHFRLZBX-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.79
Rot. Bonds3

About 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783799) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783799
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H15F2NO3/c15-10-5-11(16)7-12(6-10)17-13(18)8-2-1-3-9(4-8)14(19)20/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyDDEOGYJHFRLZBX-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577238
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
trans-(1S,2S)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100101
cis-(1S,2R)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100099
3-[(3-bromo-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577284
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
CID 124505704
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549857
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63790295

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63783799) is 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DDEOGYJHFRLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-10-5-11(16)7-12(6-10)17-13(18)8-2-1-3-9(4-8)14(19)20/h5-9H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).