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

C13H16BrNO2 — CID 107909036

IUPAC5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C13H16BrNO2/c14-7-2-1-3-13(16)15-11-4-5-12-10(9-11)6-8-17-12/h4-5,9H,1-3,6-8H2,(H,15,16)
InChIKeyJDCZXDKBYJNSPI-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.13
Rot. Bonds5

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

5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide (PubChem CID 107909036) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
PubChem CID107909036
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
SMILESO=C(CCCCBr)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C13H16BrNO2/c14-7-2-1-3-13(16)15-11-4-5-12-10(9-11)6-8-17-12/h4-5,9H,1-3,6-8H2,(H,15,16)
InChIKeyJDCZXDKBYJNSPI-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
CID 119728510
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
CID 119767333
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
2-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 113427707
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
N-(2,3-dihydro-1-benzofuran-5-yl)-3-naphthalen-2-ylpropanamide
CID 112844361
5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
CID 62965231

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide (CID 107909036) is 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide is O=C(CCCCBr)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide?
The InChIKey is JDCZXDKBYJNSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-7-2-1-3-13(16)15-11-4-5-12-10(9-11)6-8-17-12/h4-5,9H,1-3,6-8H2,(H,15,16).
What are the key properties of 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide?
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide has a molecular weight of 298.18 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide is sourced from PubChem (CID 107909036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).