N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide

C16H15BrN2O2 — CID 104702827

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H15BrN2O2/c17-13-7-11-4-6-21-16(11)12(8-13)10-19-15(20)9-14-3-1-2-5-18-14/h1-3,5,7-8H,4,6,9-10H2,(H,19,20)
InChIKeyIFHCHMWVHSAXST-UHFFFAOYSA-N
MW347.21 g/mol
LogP2.64
Rot. Bonds4

About N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide (PubChem CID 104702827) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
PubChem CID104702827
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H15BrN2O2/c17-13-7-11-4-6-21-16(11)12(8-13)10-19-15(20)9-14-3-1-2-5-18-14/h1-3,5,7-8H,4,6,9-10H2,(H,19,20)
InChIKeyIFHCHMWVHSAXST-UHFFFAOYSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylpyridine-3-carboxamide
CID 104702776
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-pyridin-2-ylbutan-2-ol
CID 105123843
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
CID 104773207
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloropyridine-2-carboxamide
CID 104702838
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(methylamino)propanamide
CID 113443019
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-hydroxybenzamide
CID 104702882
6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide
CID 104703479
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide
CID 104702793
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]-N-methylpyridine-3-carboxamide
CID 133473849
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide
CID 104702761
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-chloropyridine-4-carboxamide
CID 104702780
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
CID 104702853

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide (CID 104702827) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NCc1cc(Br)cc2c1OCC2.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide?
The InChIKey is IFHCHMWVHSAXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-7-11-4-6-21-16(11)12(8-13)10-19-15(20)9-14-3-1-2-5-18-14/h1-3,5,7-8H,4,6,9-10H2,(H,19,20).
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide has a molecular weight of 347.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 104702827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).