N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide

C22H25F3N2O — CID 67186006

IUPACN-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(N)C2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C22H25F3N2O/c1-14-5-7-15(8-6-14)20(26)16-9-11-19(12-10-16)27-21(28)17-3-2-4-18(13-17)22(23,24)25/h2-8,13,16,19-20H,9-12,26H2,1H3,(H,27,28)
InChIKeyDSNTUIDHSLXOTQ-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.00
Rot. Bonds4

About N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide

N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide (PubChem CID 67186006) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide
PubChem CID67186006
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(N)C2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C22H25F3N2O/c1-14-5-7-15(8-6-14)20(26)16-9-11-19(12-10-16)27-21(28)17-3-2-4-18(13-17)22(23,24)25/h2-8,13,16,19-20H,9-12,26H2,1H3,(H,27,28)
InChIKeyDSNTUIDHSLXOTQ-UHFFFAOYSA-N
XLogP5.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63822315
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69005704
2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 118130027

Frequently Asked Questions

What is the IUPAC name of N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide (CID 67186006) is N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide is Cc1ccc(C(N)C2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DSNTUIDHSLXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-14-5-7-15(8-6-14)20(26)16-9-11-19(12-10-16)27-21(28)17-3-2-4-18(13-17)22(23,24)25/h2-8,13,16,19-20H,9-12,26H2,1H3,(H,27,28).
What are the key properties of N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide?
N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide has a molecular weight of 390.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 67186006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).