N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide

C17H23F3N2O — CID 70592375

IUPACN-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C1CCCCC1NC(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-22(2)15-6-4-3-5-14(15)21-16(23)13-9-7-12(8-10-13)11-17(18,19)20/h7-10,14-15H,3-6,11H2,1-2H3,(H,21,23)
InChIKeyHLVXBSTYJDGCOP-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide

N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide (PubChem CID 70592375) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide
PubChem CID70592375
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C1CCCCC1NC(=O)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-22(2)15-6-4-3-5-14(15)21-16(23)13-9-7-12(8-10-13)11-17(18,19)20/h7-10,14-15H,3-6,11H2,1-2H3,(H,21,23)
InChIKeyHLVXBSTYJDGCOP-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)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-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
CID 23349769
4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
CID 165362467
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957519
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
4-(bromomethyl)-N-(2-tert-butylcyclohexyl)benzamide
CID 102851083
N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide;4-methylbenzenesulfonic acid
CID 23349812
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide (CID 70592375) is N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide is CN(C)C1CCCCC1NC(=O)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HLVXBSTYJDGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-22(2)15-6-4-3-5-14(15)21-16(23)13-9-7-12(8-10-13)11-17(18,19)20/h7-10,14-15H,3-6,11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide?
N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 70592375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).