N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide

C15H18BrNO2 — CID 106157815

IUPACN-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
SMILESCC(CBr)CCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C15H18BrNO2/c1-11(9-16)5-4-8-17-15(18)13-10-19-14-7-3-2-6-12(13)14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyHTEFCGLTCYNNMU-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.97
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide

N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide (PubChem CID 106157815) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
PubChem CID106157815
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
SMILESCC(CBr)CCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C15H18BrNO2/c1-11(9-16)5-4-8-17-15(18)13-10-19-14-7-3-2-6-12(13)14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyHTEFCGLTCYNNMU-UHFFFAOYSA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.97
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

N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
CID 106307933
N-hex-5-ynyl-1-benzofuran-3-carboxamide
CID 103757829
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
CID 106157892
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide (CID 106157815) is N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide is CC(CBr)CCCNC(=O)c1coc2ccccc12.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide?
The InChIKey is HTEFCGLTCYNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11(9-16)5-4-8-17-15(18)13-10-19-14-7-3-2-6-12(13)14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide?
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106157815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).