4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide

C12H16BrNO2 — CID 146287487

IUPAC4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)cc1C(C)C
InChIInChI=1S/C12H16BrNO2/c1-8(2)11-7-9(13)5-6-10(11)12(15)14(3)16-4/h5-8H,1-4H3
InChIKeyLAPCZJIUKNEBHP-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.21
Rot. Bonds3

About 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide

4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide (PubChem CID 146287487) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide
PubChem CID146287487
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)cc1C(C)C
InChIInChI=1S/C12H16BrNO2/c1-8(2)11-7-9(13)5-6-10(11)12(15)14(3)16-4/h5-8H,1-4H3
InChIKeyLAPCZJIUKNEBHP-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide 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

4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide
CID 155681438
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
methyl 2-(5-bromo-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117463058
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
CID 171512307
4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
2-bromo-N,4,5-trimethoxy-N-methylbenzamide
CID 90127344
3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
CID 115402117
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60954917

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide (CID 146287487) is 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide is CON(C)C(=O)c1ccc(Br)cc1C(C)C.
What is the InChIKey of 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide?
The InChIKey is LAPCZJIUKNEBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)11-7-9(13)5-6-10(11)12(15)14(3)16-4/h5-8H,1-4H3.
What are the key properties of 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide?
4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide has a molecular weight of 286.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide is sourced from PubChem (CID 146287487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).