3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide

C11H11Br2NO — CID 115659844

IUPAC3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
SMILESC=C(Br)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C11H11Br2NO/c1-7(12)6-14-11(15)9-4-3-5-10(13)8(9)2/h3-5H,1,6H2,2H3,(H,14,15)
InChIKeyJZSKLKXTOCEIOC-UHFFFAOYSA-N
MW333.02 g/mol
LogP3.40
Rot. Bonds3

About 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide

3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide (PubChem CID 115659844) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
PubChem CID115659844
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC Name3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
SMILESC=C(Br)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C11H11Br2NO/c1-7(12)6-14-11(15)9-4-3-5-10(13)8(9)2/h3-5H,1,6H2,2H3,(H,14,15)
InChIKeyJZSKLKXTOCEIOC-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
lithium;2-[(3-bromo-2-methylbenzoyl)amino]acetic acid;methyl 2-[(3-bromo-2-methylbenzoyl)amino]acetate;hydroxide
CID 158853348
N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
CID 103769141
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
CID 81483938
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
(2S)-2-[[2-[(3-bromo-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694755
3-bromo-N-(4-bromopentyl)-2-methylbenzamide
CID 106130435

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide (CID 115659844) is 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide is C=C(Br)CNC(=O)c1cccc(Br)c1C.
What is the InChIKey of 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide?
The InChIKey is JZSKLKXTOCEIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c1-7(12)6-14-11(15)9-4-3-5-10(13)8(9)2/h3-5H,1,6H2,2H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide?
3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide has a molecular weight of 333.02 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide is sourced from PubChem (CID 115659844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).