3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

C16H13Br2NO2 — CID 107980334

IUPAC3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H13Br2NO2/c17-12-5-11(6-13(18)8-12)16(20)19-9-14-7-10-3-1-2-4-15(10)21-14/h1-6,8,14H,7,9H2,(H,19,20)
InChIKeyVUFQPRIZTSIJNU-UHFFFAOYSA-N
MW411.09 g/mol
LogP3.95
Rot. Bonds3

About 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (PubChem CID 107980334) has the molecular formula C16H13Br2NO2 and a molecular weight of 411.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
PubChem CID107980334
Molecular FormulaC16H13Br2NO2
Molecular Weight411.09 g/mol
Exact Mass408.93
IUPAC Name3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2O1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H13Br2NO2/c17-12-5-11(6-13(18)8-12)16(20)19-9-14-7-10-3-1-2-4-15(10)21-14/h1-6,8,14H,7,9H2,(H,19,20)
InChIKeyVUFQPRIZTSIJNU-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.09
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 39237368
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
3-(4-bromopyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 47081921
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 47026743

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (CID 107980334) is 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is O=C(NCC1Cc2ccccc2O1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The InChIKey is VUFQPRIZTSIJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO2/c17-12-5-11(6-13(18)8-12)16(20)19-9-14-7-10-3-1-2-4-15(10)21-14/h1-6,8,14H,7,9H2,(H,19,20).
What are the key properties of 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide has a molecular weight of 411.09 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is sourced from PubChem (CID 107980334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).