N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide

C12H14BrNO — CID 115594477

IUPACN-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
SMILESC=C(Br)CNC(=O)c1cccc(C)c1C
InChIInChI=1S/C12H14BrNO/c1-8-5-4-6-11(10(8)3)12(15)14-7-9(2)13/h4-6H,2,7H2,1,3H3,(H,14,15)
InChIKeyUGGFFDHIUUYHFA-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.94
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide

N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide (PubChem CID 115594477) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
PubChem CID115594477
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
SMILESC=C(Br)CNC(=O)c1cccc(C)c1C
InChIInChI=1S/C12H14BrNO/c1-8-5-4-6-11(10(8)3)12(15)14-7-9(2)13/h4-6H,2,7H2,1,3H3,(H,14,15)
InChIKeyUGGFFDHIUUYHFA-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

3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844
N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
CID 103769141
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235
2,3-dimethylbenzohydrazide
CID 16790549
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974
2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide
CID 115766012
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 131207229
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide (CID 115594477) is N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide is C=C(Br)CNC(=O)c1cccc(C)c1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide?
The InChIKey is UGGFFDHIUUYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8-5-4-6-11(10(8)3)12(15)14-7-9(2)13/h4-6H,2,7H2,1,3H3,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide?
N-(2-bromoprop-2-enyl)-2,3-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)-2,3-dimethylbenzamide is sourced from PubChem (CID 115594477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).