N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide

C12H14BrNO — CID 103769141

IUPACN-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
SMILESC=C(Br)CNC(=O)c1c(C)cccc1C
InChIInChI=1S/C12H14BrNO/c1-8-5-4-6-9(2)11(8)12(15)14-7-10(3)13/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyJFLGYCQVECPDAO-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.94
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide

N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide (PubChem CID 103769141) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
PubChem CID103769141
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
SMILESC=C(Br)CNC(=O)c1c(C)cccc1C
InChIInChI=1S/C12H14BrNO/c1-8-5-4-6-9(2)11(8)12(15)14-7-10(3)13/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyJFLGYCQVECPDAO-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922
N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
CID 47439097
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 164584980
N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285
N-(2-bromoprop-2-enyl)-5-methylthiophene-3-carboxamide
CID 130610492
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235
2-bromo-N-[(2,6-dimethylphenyl)methyl]prop-2-en-1-amine
CID 115897820
N-(2-bromoprop-2-enyl)-2-phenylacetamide
CID 115594657
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide (CID 103769141) is N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide is C=C(Br)CNC(=O)c1c(C)cccc1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide?
The InChIKey is JFLGYCQVECPDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8-5-4-6-9(2)11(8)12(15)14-7-10(3)13/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide?
N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide has a molecular weight of 268.15 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 103769141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).