2,4-dibromo-N-(1-cyclobutylethyl)benzamide

C13H15Br2NO — CID 103883323

IUPAC2,4-dibromo-N-(1-cyclobutylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)C1CCC1
InChIInChI=1S/C13H15Br2NO/c1-8(9-3-2-4-9)16-13(17)11-6-5-10(14)7-12(11)15/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyBKBOUDJZRZFACB-UHFFFAOYSA-N
MW361.08 g/mol
LogP4.13
Rot. Bonds3

About 2,4-dibromo-N-(1-cyclobutylethyl)benzamide

2,4-dibromo-N-(1-cyclobutylethyl)benzamide (PubChem CID 103883323) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-cyclobutylethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-cyclobutylethyl)benzamide
PubChem CID103883323
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name2,4-dibromo-N-(1-cyclobutylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)C1CCC1
InChIInChI=1S/C13H15Br2NO/c1-8(9-3-2-4-9)16-13(17)11-6-5-10(14)7-12(11)15/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyBKBOUDJZRZFACB-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
CID 115769124
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
CID 107873151
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-cyclobutylethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1-cyclobutylethyl)benzamide (CID 103883323) is 2,4-dibromo-N-(1-cyclobutylethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1-cyclobutylethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1-cyclobutylethyl)benzamide is CC(NC(=O)c1ccc(Br)cc1Br)C1CCC1.
What is the InChIKey of 2,4-dibromo-N-(1-cyclobutylethyl)benzamide?
The InChIKey is BKBOUDJZRZFACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-8(9-3-2-4-9)16-13(17)11-6-5-10(14)7-12(11)15/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 2,4-dibromo-N-(1-cyclobutylethyl)benzamide?
2,4-dibromo-N-(1-cyclobutylethyl)benzamide has a molecular weight of 361.08 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-cyclobutylethyl)benzamide is sourced from PubChem (CID 103883323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).