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

C16H10F3NO2 — CID 725652

IUPACN-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-6-12(9-11)20-15(21)14-8-10-4-1-2-7-13(10)22-14/h1-9H,(H,20,21)
InChIKeyFHGCOKNNILZYEC-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.70
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 725652) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID725652
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-6-12(9-11)20-15(21)14-8-10-4-1-2-7-13(10)22-14/h1-9H,(H,20,21)
InChIKeyFHGCOKNNILZYEC-UHFFFAOYSA-N
XLogP4.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide (CID 725652) is N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is FHGCOKNNILZYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-6-12(9-11)20-15(21)14-8-10-4-1-2-7-13(10)22-14/h1-9H,(H,20,21).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide?
N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 725652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).