2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide

C11H12BrNO2 — CID 107903969

IUPAC2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESCC(Br)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C11H12BrNO2/c1-7(12)11(14)13-9-2-3-10-8(6-9)4-5-15-10/h2-3,6-7H,4-5H2,1H3,(H,13,14)
InChIKeySGCNWZSBPUULME-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.34
Rot. Bonds2

About 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide

2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide (PubChem CID 107903969) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
PubChem CID107903969
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESCC(Br)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C11H12BrNO2/c1-7(12)11(14)13-9-2-3-10-8(6-9)4-5-15-10/h2-3,6-7H,4-5H2,1H3,(H,13,14)
InChIKeySGCNWZSBPUULME-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.34
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

4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
CID 115186146
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
CID 61177905
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
CID 62965231
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 42951852
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide (CID 107903969) is 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide is CC(Br)C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The InChIKey is SGCNWZSBPUULME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-7(12)11(14)13-9-2-3-10-8(6-9)4-5-15-10/h2-3,6-7H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide has a molecular weight of 270.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 107903969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).