N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H12F3NO2 — CID 5028078

IUPACN-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)14-9-5-4-8-13(14)15-10-11-16(24-15)17(23)22-12-6-2-1-3-7-12/h1-11H,(H,22,23)
InChIKeyBWXJKJFHROIYGE-UHFFFAOYSA-N
MW331.29 g/mol
LogP5.22
Rot. Bonds3

About N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 5028078) has the molecular formula C18H12F3NO2 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID5028078
Molecular FormulaC18H12F3NO2
Molecular Weight331.29 g/mol
Exact Mass331.08
IUPAC NameN-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)14-9-5-4-8-13(14)15-10-11-16(24-15)17(23)22-12-6-2-1-3-7-12/h1-11H,(H,22,23)
InChIKeyBWXJKJFHROIYGE-UHFFFAOYSA-N
XLogP5.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-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 N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 5028078) is N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is BWXJKJFHROIYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2/c19-18(20,21)14-9-5-4-8-13(14)15-10-11-16(24-15)17(23)22-12-6-2-1-3-7-12/h1-11H,(H,22,23).
What are the key properties of N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 5028078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).