N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide

C17H17F3N2O — CID 78882971

IUPACN,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c1-22(2)16(23)14-5-3-4-6-15(14)21-11-12-7-9-13(10-8-12)17(18,19)20/h3-10,21H,11H2,1-2H3
InChIKeyFPWBMWWEJCNOHD-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.02
Rot. Bonds4

About N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide

N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide (PubChem CID 78882971) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
PubChem CID78882971
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c1-22(2)16(23)14-5-3-4-6-15(14)21-11-12-7-9-13(10-8-12)17(18,19)20/h3-10,21H,11H2,1-2H3
InChIKeyFPWBMWWEJCNOHD-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 14098781
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 78895527
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide?
The IUPAC name of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide (CID 78882971) is N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide is CN(C)C(=O)c1ccccc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide?
The InChIKey is FPWBMWWEJCNOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-22(2)16(23)14-5-3-4-6-15(14)21-11-12-7-9-13(10-8-12)17(18,19)20/h3-10,21H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide?
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide has a molecular weight of 322.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 78882971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).