N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C24H28F3N3O2 — CID 69005704

IUPACN-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)c1ccc(C(NC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-30(2)20-13-11-16(12-14-20)21(23(32)28-19-9-4-3-5-10-19)29-22(31)17-7-6-8-18(15-17)24(25,26)27/h6-8,11-15,19,21H,3-5,9-10H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyIBRDCNFJBYMBNZ-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.69
Rot. Bonds6

About N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69005704) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID69005704
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)c1ccc(C(NC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-30(2)20-13-11-16(12-14-20)21(23(32)28-19-9-4-3-5-10-19)29-22(31)17-7-6-8-18(15-17)24(25,26)27/h6-8,11-15,19,21H,3-5,9-10H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyIBRDCNFJBYMBNZ-UHFFFAOYSA-N
XLogP4.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69000569
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25318490
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546043
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7506538
4-[1-[N-(2-aminoacetyl)-3-(trifluoromethyl)anilino]-2-(cyclohexylamino)-2-oxoethyl]benzoic acid
CID 161254273
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 58241186
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide
CID 67186006
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546045
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 69005704) is N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide is CN(C)c1ccc(C(NC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IBRDCNFJBYMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-30(2)20-13-11-16(12-14-20)21(23(32)28-19-9-4-3-5-10-19)29-22(31)17-7-6-8-18(15-17)24(25,26)27/h6-8,11-15,19,21H,3-5,9-10H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 447.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69005704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).