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

C15H12BrNO2 — CID 62070746

IUPAC2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
SMILESO=C(NC1COc2ccccc21)c1ccccc1Br
InChIInChI=1S/C15H12BrNO2/c16-12-7-3-1-5-10(12)15(18)17-13-9-19-14-8-4-2-6-11(13)14/h1-8,13H,9H2,(H,17,18)
InChIKeyZTNQPRVOTMXWFV-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.31
Rot. Bonds2

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

2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide (PubChem CID 62070746) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
PubChem CID62070746
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
SMILESO=C(NC1COc2ccccc21)c1ccccc1Br
InChIInChI=1S/C15H12BrNO2/c16-12-7-3-1-5-10(12)15(18)17-13-9-19-14-8-4-2-6-11(13)14/h1-8,13H,9H2,(H,17,18)
InChIKeyZTNQPRVOTMXWFV-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
CID 113343314
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 94840101
1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 97003353
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030521
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide (CID 62070746) is 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide is O=C(NC1COc2ccccc21)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide?
The InChIKey is ZTNQPRVOTMXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-12-7-3-1-5-10(12)15(18)17-13-9-19-14-8-4-2-6-11(13)14/h1-8,13H,9H2,(H,17,18).
What are the key properties of 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide?
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide has a molecular weight of 318.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide is sourced from PubChem (CID 62070746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).