4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

C15H10FNO3 — CID 685784

IUPAC4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FNO3/c16-11-3-1-9(2-4-11)14(18)17-12-5-6-13-10(7-12)8-20-15(13)19/h1-7H,8H2,(H,17,18)
InChIKeyNFMKUMJDGKGHKA-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.75
Rot. Bonds2

About 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (PubChem CID 685784) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
PubChem CID685784
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FNO3/c16-11-3-1-9(2-4-11)14(18)17-12-5-6-13-10(7-12)8-20-15(13)19/h1-7H,8H2,(H,17,18)
InChIKeyNFMKUMJDGKGHKA-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (CID 685784) is 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is O=C(Nc1ccc2c(c1)COC2=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The InChIKey is NFMKUMJDGKGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-11-3-1-9(2-4-11)14(18)17-12-5-6-13-10(7-12)8-20-15(13)19/h1-7H,8H2,(H,17,18).
What are the key properties of 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide has a molecular weight of 271.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 685784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).