3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C17H16F3NO2 — CID 134794816

IUPAC3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO2/c1-21(16(22)13-6-4-8-15(10-13)23-2)11-12-5-3-7-14(9-12)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyOHDMCDFBFKIBEC-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.99
Rot. Bonds4

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

3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 134794816) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID134794816
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO2/c1-21(16(22)13-6-4-8-15(10-13)23-2)11-12-5-3-7-14(9-12)17(18,19)20/h3-10H,11H2,1-2H3
InChIKeyOHDMCDFBFKIBEC-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 134794816) is 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is COc1cccc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is OHDMCDFBFKIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-21(16(22)13-6-4-8-15(10-13)23-2)11-12-5-3-7-14(9-12)17(18,19)20/h3-10H,11H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134794816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).