3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide

C15H11F4NO2 — CID 154465002

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide
SMILESCOc1c(C(N)=O)cccc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F4NO2/c1-22-13-9(3-2-4-10(13)14(20)21)8-5-6-12(16)11(7-8)15(17,18)19/h2-7H,1H3,(H2,20,21)
InChIKeyIVPQHUHODSECAS-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.62
Rot. Bonds3

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide

3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide (PubChem CID 154465002) has the molecular formula C15H11F4NO2 and a molecular weight of 313.25 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide
PubChem CID154465002
Molecular FormulaC15H11F4NO2
Molecular Weight313.25 g/mol
Exact Mass313.07
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide
SMILESCOc1c(C(N)=O)cccc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H11F4NO2/c1-22-13-9(3-2-4-10(13)14(20)21)8-5-6-12(16)11(7-8)15(17,18)19/h2-7H,1H3,(H2,20,21)
InChIKeyIVPQHUHODSECAS-UHFFFAOYSA-N
XLogP3.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide (CID 154465002) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide is COc1c(C(N)=O)cccc1-c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide?
The InChIKey is IVPQHUHODSECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO2/c1-22-13-9(3-2-4-10(13)14(20)21)8-5-6-12(16)11(7-8)15(17,18)19/h2-7H,1H3,(H2,20,21).
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide?
3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide has a molecular weight of 313.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 154465002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).