N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide

C16H18BrNO2 — CID 102872243

IUPACN-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide
SMILESO=C(c1coc2ccccc12)N(CCCBr)C1CCC1
InChIInChI=1S/C16H18BrNO2/c17-9-4-10-18(12-5-3-6-12)16(19)14-11-20-15-8-2-1-7-13(14)15/h1-2,7-8,11-12H,3-6,9-10H2
InChIKeySQVZOQKXLLGTRL-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.21
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide

N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide (PubChem CID 102872243) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide
PubChem CID102872243
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide
SMILESO=C(c1coc2ccccc12)N(CCCBr)C1CCC1
InChIInChI=1S/C16H18BrNO2/c17-9-4-10-18(12-5-3-6-12)16(19)14-11-20-15-8-2-1-7-13(14)15/h1-2,7-8,11-12H,3-6,9-10H2
InChIKeySQVZOQKXLLGTRL-UHFFFAOYSA-N
XLogP4.21
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide
CID 77020926
N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
CID 136544061
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-(2-bromoethyl)-N-pentan-3-yl-1-benzofuran-3-carboxamide
CID 80671740
N-(cyclopropylmethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77086659
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
CID 107732739
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
CID 114029735

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide (CID 102872243) is N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide is O=C(c1coc2ccccc12)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide?
The InChIKey is SQVZOQKXLLGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-9-4-10-18(12-5-3-6-12)16(19)14-11-20-15-8-2-1-7-13(14)15/h1-2,7-8,11-12H,3-6,9-10H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide?
N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 102872243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).