3-bromo-N-methoxy-N,5-dimethylbenzamide

C10H12BrNO2 — CID 89425186

IUPAC3-bromo-N-methoxy-N,5-dimethylbenzamide
SMILESCON(C)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-7-4-8(6-9(11)5-7)10(13)12(2)14-3/h4-6H,1-3H3
InChIKeyCSGUPMMRTRVCKF-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.39
Rot. Bonds2

About 3-bromo-N-methoxy-N,5-dimethylbenzamide

3-bromo-N-methoxy-N,5-dimethylbenzamide (PubChem CID 89425186) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-bromo-N-methoxy-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-methoxy-N,5-dimethylbenzamide
PubChem CID89425186
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-bromo-N-methoxy-N,5-dimethylbenzamide
SMILESCON(C)C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-7-4-8(6-9(11)5-7)10(13)12(2)14-3/h4-6H,1-3H3
InChIKeyCSGUPMMRTRVCKF-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-bromo-5-[methoxy(methyl)carbamoyl]benzoate
CID 86677590
3-acetyl-N-methoxy-N,5-dimethylbenzamide;tris(3-acetyl-5-methylbenzoic acid);tris(1-(3-acetyl-5-methylphenyl)ethanone)
CID 159771218
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
ethane;methyl 3-bromo-5-methylbenzoate
CID 143959951
methyl 3-bromo-5-methylbenzenecarboperoxoate
CID 166686866
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
3-bromo-5-fluorobenzoic acid;3-bromo-5-fluoro-N-methoxy-N-methylbenzamide;N-methoxymethanamine
CID 159093782
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methoxy-N,5-dimethylbenzamide?
The IUPAC name of 3-bromo-N-methoxy-N,5-dimethylbenzamide (CID 89425186) is 3-bromo-N-methoxy-N,5-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-methoxy-N,5-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-methoxy-N,5-dimethylbenzamide is CON(C)C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-methoxy-N,5-dimethylbenzamide?
The InChIKey is CSGUPMMRTRVCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7-4-8(6-9(11)5-7)10(13)12(2)14-3/h4-6H,1-3H3.
What are the key properties of 3-bromo-N-methoxy-N,5-dimethylbenzamide?
3-bromo-N-methoxy-N,5-dimethylbenzamide has a molecular weight of 258.11 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methoxy-N,5-dimethylbenzamide is sourced from PubChem (CID 89425186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).