N-(4-bromopentyl)-1-benzofuran-3-carboxamide

C14H16BrNO2 — CID 106131215

IUPACN-(4-bromopentyl)-1-benzofuran-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H16BrNO2/c1-10(15)5-4-8-16-14(17)12-9-18-13-7-3-2-6-11(12)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,16,17)
InChIKeyIRZHFVZBNCPTFO-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.73
Rot. Bonds5

About N-(4-bromopentyl)-1-benzofuran-3-carboxamide

N-(4-bromopentyl)-1-benzofuran-3-carboxamide (PubChem CID 106131215) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(4-bromopentyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-1-benzofuran-3-carboxamide
PubChem CID106131215
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC NameN-(4-bromopentyl)-1-benzofuran-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H16BrNO2/c1-10(15)5-4-8-16-14(17)12-9-18-13-7-3-2-6-11(12)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,16,17)
InChIKeyIRZHFVZBNCPTFO-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.73
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-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-hex-5-ynyl-1-benzofuran-3-carboxamide
CID 103757829
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576
5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
CID 106307933
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-bromopentyl)-1-benzofuran-3-carboxamide (CID 106131215) is N-(4-bromopentyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-bromopentyl)-1-benzofuran-3-carboxamide is CC(Br)CCCNC(=O)c1coc2ccccc12.
What is the InChIKey of N-(4-bromopentyl)-1-benzofuran-3-carboxamide?
The InChIKey is IRZHFVZBNCPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10(15)5-4-8-16-14(17)12-9-18-13-7-3-2-6-11(12)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,16,17).
What are the key properties of N-(4-bromopentyl)-1-benzofuran-3-carboxamide?
N-(4-bromopentyl)-1-benzofuran-3-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106131215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).