N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide

C22H24F3NO2 — CID 100745234

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C22H24F3NO2/c1-15-7-6-8-16(13-15)21(11-4-3-5-12-21)20(27)26-17-9-10-19(28-2)18(14-17)22(23,24)25/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,26,27)
InChIKeyPSWBPUGXWDTRGF-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.86
Rot. Bonds4

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100745234) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100745234
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C22H24F3NO2/c1-15-7-6-8-16(13-15)21(11-4-3-5-12-21)20(27)26-17-9-10-19(28-2)18(14-17)22(23,24)25/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,26,27)
InChIKeyPSWBPUGXWDTRGF-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379
methyl 5-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100719723
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
N-[4-methoxy-3-(trifluoromethyl)phenyl]-8-methyl-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100784252
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100745829
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide (CID 100745234) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is PSWBPUGXWDTRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO2/c1-15-7-6-8-16(13-15)21(11-4-3-5-12-21)20(27)26-17-9-10-19(28-2)18(14-17)22(23,24)25/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,26,27).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100745234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).