4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide

C16H14BrNO2 — CID 102851182

IUPAC4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1ccc(CBr)cc1
InChIInChI=1S/C16H14BrNO2/c17-10-11-1-3-12(4-2-11)16(19)18-14-5-6-15-13(9-14)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyMSTGGEIDTCXGSJ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.77
Rot. Bonds3

About 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide

4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide (PubChem CID 102851182) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
PubChem CID102851182
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1ccc(CBr)cc1
InChIInChI=1S/C16H14BrNO2/c17-10-11-1-3-12(4-2-11)16(19)18-14-5-6-15-13(9-14)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyMSTGGEIDTCXGSJ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114310163
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
N-[4-(2-amino-2-oxoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 31862131
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)-4-methylbenzamide
CID 79466753
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
CID 107909036
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-5-methylbenzamide
CID 104852259
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide (CID 102851182) is 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide is O=C(Nc1ccc2c(c1)CCO2)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide?
The InChIKey is MSTGGEIDTCXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-10-11-1-3-12(4-2-11)16(19)18-14-5-6-15-13(9-14)7-8-20-15/h1-6,9H,7-8,10H2,(H,18,19).
What are the key properties of 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide?
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide has a molecular weight of 332.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide is sourced from PubChem (CID 102851182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).