N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide

C14H16BrNO2 — CID 113276116

IUPACN-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(CCBr)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO2/c1-10(6-7-15)9-16-14(17)13-8-11-4-2-3-5-12(11)18-13/h2-5,8,10H,6-7,9H2,1H3,(H,16,17)
InChIKeyZJQINEKJBCPZOU-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.58
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide

N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 113276116) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
PubChem CID113276116
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC NameN-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(CCBr)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO2/c1-10(6-7-15)9-16-14(17)13-8-11-4-2-3-5-12(11)18-13/h2-5,8,10H,6-7,9H2,1H3,(H,16,17)
InChIKeyZJQINEKJBCPZOU-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
CID 113496418
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide (CID 113276116) is N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide is CC(CCBr)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZJQINEKJBCPZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10(6-7-15)9-16-14(17)13-8-11-4-2-3-5-12(11)18-13/h2-5,8,10H,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide?
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 113276116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).