N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide

C18H16F6N2O — CID 59913441

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F6N2O/c1-26(2)15-5-3-12(4-6-15)16(27)25-10-11-7-13(17(19,20)21)9-14(8-11)18(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)
InChIKeyJSJCBYTYAPIGNW-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.72
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide (PubChem CID 59913441) has the molecular formula C18H16F6N2O and a molecular weight of 390.33 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide
PubChem CID59913441
Molecular FormulaC18H16F6N2O
Molecular Weight390.33 g/mol
Exact Mass390.12
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F6N2O/c1-26(2)15-5-3-12(4-6-15)16(27)25-10-11-7-13(17(19,20)21)9-14(8-11)18(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)
InChIKeyJSJCBYTYAPIGNW-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)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

4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
1-[[4-(dimethylamino)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 38949105
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 103706462
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide (CID 59913441) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
The InChIKey is JSJCBYTYAPIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O/c1-26(2)15-5-3-12(4-6-15)16(27)25-10-11-7-13(17(19,20)21)9-14(8-11)18(22,23)24/h3-9H,10H2,1-2H3,(H,25,27).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide has a molecular weight of 390.33 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 59913441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).