N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C17H16F3NO — CID 134793740

IUPACN,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-12-6-3-4-9-15(12)16(22)21(2)11-13-7-5-8-14(10-13)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyZJXLTFKQWTYADG-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.29
Rot. Bonds3

About N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134793740) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134793740
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-12-6-3-4-9-15(12)16(22)21(2)11-13-7-5-8-14(10-13)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyZJXLTFKQWTYADG-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Benzyl-1-(3-methylbenzoyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 134793740) is N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccccc1C(=O)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ZJXLTFKQWTYADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12-6-3-4-9-15(12)16(22)21(2)11-13-7-5-8-14(10-13)17(18,19)20/h3-10H,11H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 307.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134793740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).