4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide

C15H12BrNO3 — CID 62071970

IUPAC4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1COc2ccccc21)c1ccc(Br)cc1O
InChIInChI=1S/C15H12BrNO3/c16-9-5-6-11(13(18)7-9)15(19)17-12-8-20-14-4-2-1-3-10(12)14/h1-7,12,18H,8H2,(H,17,19)
InChIKeyOIVOPNHKLFLRHY-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.02
Rot. Bonds2

About 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide

4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide (PubChem CID 62071970) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
PubChem CID62071970
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1COc2ccccc21)c1ccc(Br)cc1O
InChIInChI=1S/C15H12BrNO3/c16-9-5-6-11(13(18)7-9)15(19)17-12-8-20-14-4-2-1-3-10(12)14/h1-7,12,18H,8H2,(H,17,19)
InChIKeyOIVOPNHKLFLRHY-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide (CID 62071970) is 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide is O=C(NC1COc2ccccc21)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide?
The InChIKey is OIVOPNHKLFLRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-9-5-6-11(13(18)7-9)15(19)17-12-8-20-14-4-2-1-3-10(12)14/h1-7,12,18H,8H2,(H,17,19).
What are the key properties of 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide?
4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide has a molecular weight of 334.17 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide is sourced from PubChem (CID 62071970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).