2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide

C12H15Br2NO — CID 107984024

IUPAC2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CBr)c1Br
InChIInChI=1S/C12H15Br2NO/c1-8-5-4-6-10(11(8)14)12(16)15(3)9(2)7-13/h4-6,9H,7H2,1-3H3
InChIKeyJDVHZQUELMHKCY-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.61
Rot. Bonds3

About 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide

2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide (PubChem CID 107984024) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
PubChem CID107984024
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CBr)c1Br
InChIInChI=1S/C12H15Br2NO/c1-8-5-4-6-10(11(8)14)12(16)15(3)9(2)7-13/h4-6,9H,7H2,1-3H3
InChIKeyJDVHZQUELMHKCY-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide 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

N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
CID 107982449
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide
CID 104615787
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide?
The IUPAC name of 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide (CID 107984024) is 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C(C)CBr)c1Br.
What is the InChIKey of 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide?
The InChIKey is JDVHZQUELMHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-8-5-4-6-10(11(8)14)12(16)15(3)9(2)7-13/h4-6,9H,7H2,1-3H3.
What are the key properties of 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide?
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide has a molecular weight of 349.07 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide is sourced from PubChem (CID 107984024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).