N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide

C16H18BrNO2 — CID 80658406

IUPACN-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
SMILESO=C(c1coc2ccccc12)N(CCBr)C1CCCC1
InChIInChI=1S/C16H18BrNO2/c17-9-10-18(12-5-1-2-6-12)16(19)14-11-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyGBUYGHRYFLBZHY-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.21
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide

N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide (PubChem CID 80658406) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
PubChem CID80658406
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
SMILESO=C(c1coc2ccccc12)N(CCBr)C1CCCC1
InChIInChI=1S/C16H18BrNO2/c17-9-10-18(12-5-1-2-6-12)16(19)14-11-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12H,1-2,5-6,9-10H2
InChIKeyGBUYGHRYFLBZHY-UHFFFAOYSA-N
XLogP4.21
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide
CID 102872243
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide
CID 77020926
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
N-(2-bromoethyl)-N-pentan-3-yl-1-benzofuran-3-carboxamide
CID 80671740
N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
CID 136544061
N-(cyclopropylmethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77086659
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
N-(2-bromoethyl)-N-cyclohexyl-2-nitrobenzamide
CID 80652468

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide (CID 80658406) is N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide is O=C(c1coc2ccccc12)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide?
The InChIKey is GBUYGHRYFLBZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-9-10-18(12-5-1-2-6-12)16(19)14-11-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12H,1-2,5-6,9-10H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide?
N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 80658406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).