N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H16F3NO2 — CID 106912255

IUPACN-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=Cc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)12-3-1-2-11(8-12)14(21)19-13-6-4-10(9-20)5-7-13/h4-7,9,11-12H,1-3,8H2,(H,19,21)
InChIKeyJJHMRBSEMOUHPL-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.81
Rot. Bonds3

About N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106912255) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106912255
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=Cc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)12-3-1-2-11(8-12)14(21)19-13-6-4-10(9-20)5-7-13/h4-7,9,11-12H,1-3,8H2,(H,19,21)
InChIKeyJJHMRBSEMOUHPL-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[4-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119254310
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115661550
N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119515799
trans-(1S,3S)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 52514435
2-[3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119352029
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 138042321
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60509557
N-[3-(methylaminomethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119441034
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106912187
N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097942

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106912255) is N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=Cc1ccc(NC(=O)C2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is JJHMRBSEMOUHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c16-15(17,18)12-3-1-2-11(8-12)14(21)19-13-6-4-10(9-20)5-7-13/h4-7,9,11-12H,1-3,8H2,(H,19,21).
What are the key properties of N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106912255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).