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

C16H16BrNO3 — CID 104702793

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H16BrNO3/c17-13-8-11-5-7-21-16(11)12(9-13)10-18-15(19)4-3-14-2-1-6-20-14/h1-2,6,8-9H,3-5,7,10H2,(H,18,19)
InChIKeyZUJHJHLGICJKKJ-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.23
Rot. Bonds5

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

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide (PubChem CID 104702793) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide
PubChem CID104702793
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H16BrNO3/c17-13-8-11-5-7-21-16(11)12(9-13)10-18-15(19)4-3-14-2-1-6-20-14/h1-2,6,8-9H,3-5,7,10H2,(H,18,19)
InChIKeyZUJHJHLGICJKKJ-UHFFFAOYSA-N
XLogP3.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide 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]-3-methylbutanamide
CID 104702736
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
CID 104702827
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-hydroxybenzamide
CID 104702882
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
CID 104702853
N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
CID 55156972
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 104702727
(3Z)-3-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104703268
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)methyl]-3-cyclohexylurea
CID 104702895
2-(aminomethyl)-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-ethylbutanamide
CID 104702479
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloropyridine-2-carboxamide
CID 104702838

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide (CID 104702793) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NCc1cc(Br)cc2c1OCC2.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide?
The InChIKey is ZUJHJHLGICJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-13-8-11-5-7-21-16(11)12(9-13)10-18-15(19)4-3-14-2-1-6-20-14/h1-2,6,8-9H,3-5,7,10H2,(H,18,19).
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(furan-2-yl)propanamide has a molecular weight of 350.21 g/mol, XLogP of 3.23, 5 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]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 104702793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).