3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

C17H12F3NO2 — CID 4504520

IUPAC3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C17H12F3NO2/c1-10-13-4-2-3-5-14(13)23-15(10)16(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,1H3,(H,21,22)
InChIKeyVHAWUBMHTMNOJC-UHFFFAOYSA-N
MW319.28 g/mol
LogP5.01
Rot. Bonds2

About 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 4504520) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID4504520
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C17H12F3NO2/c1-10-13-4-2-3-5-14(13)23-15(10)16(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,1H3,(H,21,22)
InChIKeyVHAWUBMHTMNOJC-UHFFFAOYSA-N
XLogP5.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide 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-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (CID 4504520) is 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is VHAWUBMHTMNOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-10-13-4-2-3-5-14(13)23-15(10)16(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,1H3,(H,21,22).
What are the key properties of 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4504520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).