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

C17H17F3N2O — CID 27515025

IUPAC4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O/c1-22(2)15-8-6-13(7-9-15)16(23)21-11-12-4-3-5-14(10-12)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyOIQOTROAOGFVNO-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.70
Rot. Bonds4

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

4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 27515025) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID27515025
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O/c1-22(2)15-8-6-13(7-9-15)16(23)21-11-12-4-3-5-14(10-12)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyOIQOTROAOGFVNO-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 59913441
1-[[4-(dimethylamino)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 38949105
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
1-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 33253657
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 27515025) is 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CN(C)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is OIQOTROAOGFVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-22(2)15-8-6-13(7-9-15)16(23)21-11-12-4-3-5-14(10-12)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 322.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 27515025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).