N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide

C16H14F3NO2 — CID 137362073

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-22-13-8-7-12(14(9-13)16(17,18)19)10-20-15(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKOYITKHXXDLTMF-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.64
Rot. Bonds4

About N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 137362073) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID137362073
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-22-13-8-7-12(14(9-13)16(17,18)19)10-20-15(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)
InChIKeyKOYITKHXXDLTMF-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide (CID 137362073) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is KOYITKHXXDLTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-22-13-8-7-12(14(9-13)16(17,18)19)10-20-15(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 137362073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).