2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide

C13H16BrNO — CID 115968411

IUPAC2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C13H16BrNO/c1-9(2)8-15(4)13(16)11-7-10(3)5-6-12(11)14/h5-7H,1,8H2,2-4H3
InChIKeyMIOMIBVSPGXWSL-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.41
Rot. Bonds3

About 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide

2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 115968411) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID115968411
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C13H16BrNO/c1-9(2)8-15(4)13(16)11-7-10(3)5-6-12(11)14/h5-7H,1,8H2,2-4H3
InChIKeyMIOMIBVSPGXWSL-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-bromo-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,5-dimethylbenzamide
CID 100681249
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
CID 81117729
2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
CID 115702280
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-bromo-N-(3-methoxypropyl)-N,5-dimethylbenzamide
CID 80992265
3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 103993167
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide (CID 115968411) is 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(C)C(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is MIOMIBVSPGXWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9(2)8-15(4)13(16)11-7-10(3)5-6-12(11)14/h5-7H,1,8H2,2-4H3.
What are the key properties of 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide?
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 282.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 115968411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).