N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide

C16H21F3N2O — CID 23349714

IUPACN-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)C1CCCCC1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O/c1-21(2)14-6-4-3-5-13(14)20-15(22)11-7-9-12(10-8-11)16(17,18)19/h7-10,13-14H,3-6H2,1-2H3,(H,20,22)
InChIKeyBHNDCLNLNOLFOE-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.31
Rot. Bonds3

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

N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide (PubChem CID 23349714) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
PubChem CID23349714
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)C1CCCCC1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O/c1-21(2)14-6-4-3-5-13(14)20-15(22)11-7-9-12(10-8-11)16(17,18)19/h7-10,13-14H,3-6H2,1-2H3,(H,20,22)
InChIKeyBHNDCLNLNOLFOE-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide
CID 70592375
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
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(dimethylamino)cyclohexyl]-3-(trifluoromethyl)benzamide;4-methylbenzenesulfonic acid
CID 23349812
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]-1-sulfanylurea
CID 87399458
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
3-[[2-(dimethylamino)cyclohexyl]amino]-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 146156916

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide (CID 23349714) is N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide is CN(C)C1CCCCC1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BHNDCLNLNOLFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-21(2)14-6-4-3-5-13(14)20-15(22)11-7-9-12(10-8-11)16(17,18)19/h7-10,13-14H,3-6H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide has a molecular weight of 314.35 g/mol, XLogP of 3.31, 3 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 23349714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).