2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide

C13H15Br2NO — CID 102873258

IUPAC2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
SMILESO=C(c1ccccc1Br)N(CCBr)C1CCC1
InChIInChI=1S/C13H15Br2NO/c14-8-9-16(10-4-3-5-10)13(17)11-6-1-2-7-12(11)15/h1-2,6-7,10H,3-5,8-9H2
InChIKeyLIIGGMMQLACDRR-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide

2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide (PubChem CID 102873258) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
PubChem CID102873258
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
SMILESO=C(c1ccccc1Br)N(CCBr)C1CCC1
InChIInChI=1S/C13H15Br2NO/c14-8-9-16(10-4-3-5-10)13(17)11-6-1-2-7-12(11)15/h1-2,6-7,10H,3-5,8-9H2
InChIKeyLIIGGMMQLACDRR-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 55187214
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2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
N-(2-bromoethyl)-N-cyclohexyl-2-nitrobenzamide
CID 80652468
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
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CID 43409214

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide?
The IUPAC name of 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide (CID 102873258) is 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide?
The canonical SMILES for 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide is O=C(c1ccccc1Br)N(CCBr)C1CCC1.
What is the InChIKey of 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide?
The InChIKey is LIIGGMMQLACDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c14-8-9-16(10-4-3-5-10)13(17)11-6-1-2-7-12(11)15/h1-2,6-7,10H,3-5,8-9H2.
What are the key properties of 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide?
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide has a molecular weight of 361.08 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide is sourced from PubChem (CID 102873258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).