5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide

C15H12BrNO3 — CID 38558716

IUPAC5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrNO3/c16-10-1-3-13(18)12(8-10)15(19)17-11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,18H,5-6H2,(H,17,19)
InChIKeyDMNARDVSTUPNEU-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.34
Rot. Bonds2

About 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide

5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide (PubChem CID 38558716) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
PubChem CID38558716
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrNO3/c16-10-1-3-13(18)12(8-10)15(19)17-11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,18H,5-6H2,(H,17,19)
InChIKeyDMNARDVSTUPNEU-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxamide
CID 34441377
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylbenzamide
CID 104852259
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
N-(2,3-dihydro-1-benzofuran-5-yl)naphthalene-1-carboxamide
CID 38558744
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
6-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide
CID 113346686
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
CID 114917851
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide (CID 38558716) is 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide is O=C(Nc1ccc2c(c1)CCO2)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide?
The InChIKey is DMNARDVSTUPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-10-1-3-13(18)12(8-10)15(19)17-11-2-4-14-9(7-11)5-6-20-14/h1-4,7-8,18H,5-6H2,(H,17,19).
What are the key properties of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide?
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide has a molecular weight of 334.17 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide is sourced from PubChem (CID 38558716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).