2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide

C23H18FNO3 — CID 59275265

IUPAC2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(CO)c3)cc12
InChIInChI=1S/C23H18FNO3/c1-25-23(27)21-19-12-17(16-4-2-3-14(11-16)13-26)7-10-20(19)28-22(21)15-5-8-18(24)9-6-15/h2-12,26H,13H2,1H3,(H,25,27)
InChIKeyZVMHYBSNCXNQPI-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.76
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 59275265) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID59275265
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(CO)c3)cc12
InChIInChI=1S/C23H18FNO3/c1-25-23(27)21-19-12-17(16-4-2-3-14(11-16)13-26)7-10-20(19)28-22(21)15-5-8-18(24)9-6-15/h2-12,26H,13H2,1H3,(H,25,27)
InChIKeyZVMHYBSNCXNQPI-UHFFFAOYSA-N
XLogP4.76
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 59275265) is 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(CO)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is ZVMHYBSNCXNQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-25-23(27)21-19-12-17(16-4-2-3-14(11-16)13-26)7-10-20(19)28-22(21)15-5-8-18(24)9-6-15/h2-12,26H,13H2,1H3,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[3-(hydroxymethyl)phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).