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

C16H14BrNO2 — CID 110787047

IUPAC4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c17-14-4-2-12(3-5-14)16(19)18-10-11-1-6-15-13(9-11)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyRGGAGHPPAURLBS-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.31
Rot. Bonds3

About 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide

4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide (PubChem CID 110787047) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
PubChem CID110787047
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO2/c17-14-4-2-12(3-5-14)16(19)18-10-11-1-6-15-13(9-11)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyRGGAGHPPAURLBS-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55694577

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide (CID 110787047) is 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide is O=C(NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
The InChIKey is RGGAGHPPAURLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-14-4-2-12(3-5-14)16(19)18-10-11-1-6-15-13(9-11)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19).
What are the key properties of 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide?
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide has a molecular weight of 332.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide is sourced from PubChem (CID 110787047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).