N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide

C14H16BrNO2 — CID 113496418

IUPACN-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
SMILESCCC(CCBr)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO2/c1-2-11(7-8-15)16-14(17)13-9-10-5-3-4-6-12(10)18-13/h3-6,9,11H,2,7-8H2,1H3,(H,16,17)
InChIKeyWRDWUNRNZPVKDD-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.73
Rot. Bonds5

About N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide

N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 113496418) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID113496418
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC NameN-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
SMILESCCC(CCBr)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO2/c1-2-11(7-8-15)16-14(17)13-9-10-5-3-4-6-12(10)18-13/h3-6,9,11H,2,7-8H2,1H3,(H,16,17)
InChIKeyWRDWUNRNZPVKDD-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 132650331
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758419
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide (CID 113496418) is N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide is CCC(CCBr)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WRDWUNRNZPVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-2-11(7-8-15)16-14(17)13-9-10-5-3-4-6-12(10)18-13/h3-6,9,11H,2,7-8H2,1H3,(H,16,17).
What are the key properties of N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide?
N-(1-bromopentan-3-yl)-1-benzofuran-2-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-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 113496418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).