4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide

C15H19F2NO — CID 59396553

IUPAC4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2NO/c16-15(17)9-6-13(7-10-15)14(19)18-11-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)
InChIKeyKWYPWLZMFOGNTH-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.17
Rot. Bonds4

About 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 59396553) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID59396553
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2NO/c16-15(17)9-6-13(7-10-15)14(19)18-11-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)
InChIKeyKWYPWLZMFOGNTH-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111135196
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-(2-phenylethyl)thiane-3-carboxamide
CID 110852294
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149008
(4R)-2,2-dimethyl-N-(2-phenylethyl)oxane-4-carboxamide
CID 930235
1-[(2-hydroxyphenyl)methyl]-N-(2-phenylethyl)piperidin-1-ium-4-carboxamide
CID 7317441
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide (CID 59396553) is 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide is O=C(NCCc1ccccc1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is KWYPWLZMFOGNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-15(17)9-6-13(7-10-15)14(19)18-11-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19).
What are the key properties of 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 59396553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).