3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

C16H15F3N2O — CID 2319650

IUPAC3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O/c1-21(2)14-8-3-5-11(9-14)15(22)20-13-7-4-6-12(10-13)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeySTXAYZUNVPVXQL-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.02
Rot. Bonds3

About 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 2319650) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID2319650
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O/c1-21(2)14-8-3-5-11(9-14)15(22)20-13-7-4-6-12(10-13)16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeySTXAYZUNVPVXQL-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38205833
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide
CID 7920385
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 2319650) is 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is CN(C)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is STXAYZUNVPVXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-21(2)14-8-3-5-11(9-14)15(22)20-13-7-4-6-12(10-13)16(17,18)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 308.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2319650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).