2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide

C12H13Br2NO2 — CID 104860776

IUPAC2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c1-7(2)11(16)6-15-12(17)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyFULAMTXLMBCAFR-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.17
Rot. Bonds4

About 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide

2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 104860776) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID104860776
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c1-7(2)11(16)6-15-12(17)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyFULAMTXLMBCAFR-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-methylbenzamide
CID 54214948
4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 104860755
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide (CID 104860776) is 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide is CC(C)C(=O)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is FULAMTXLMBCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-7(2)11(16)6-15-12(17)9-4-3-8(13)5-10(9)14/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide?
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 363.05 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 104860776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).