N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide

C16H12FNO2 — CID 2668546

IUPACN-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H12FNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9H,10H2,(H,18,19)
InChIKeyFVQLDFLFMBSNAV-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.50
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide

N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 2668546) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID2668546
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC NameN-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H12FNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9H,10H2,(H,18,19)
InChIKeyFVQLDFLFMBSNAV-UHFFFAOYSA-N
XLogP3.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CL82198
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2-Benzofurancarboxamide
CID 687121
Befuraline
CID 68664
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
Befuraline hydrochloride
CID 73346
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide (CID 2668546) is N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FVQLDFLFMBSNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9H,10H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide?
N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2668546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).