4-bromo-N-methoxy-N,2,5-trimethylbenzamide

C11H14BrNO2 — CID 123460356

IUPAC4-bromo-N-methoxy-N,2,5-trimethylbenzamide
SMILESCON(C)C(=O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C11H14BrNO2/c1-7-6-10(12)8(2)5-9(7)11(14)13(3)15-4/h5-6H,1-4H3
InChIKeyOOPVCVXDAFMBTJ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.70
Rot. Bonds2

About 4-bromo-N-methoxy-N,2,5-trimethylbenzamide

4-bromo-N-methoxy-N,2,5-trimethylbenzamide (PubChem CID 123460356) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4-bromo-N-methoxy-N,2,5-trimethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-N,2,5-trimethylbenzamide
PubChem CID123460356
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name4-bromo-N-methoxy-N,2,5-trimethylbenzamide
SMILESCON(C)C(=O)c1cc(C)c(Br)cc1C
InChIInChI=1S/C11H14BrNO2/c1-7-6-10(12)8(2)5-9(7)11(14)13(3)15-4/h5-6H,1-4H3
InChIKeyOOPVCVXDAFMBTJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.70
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

4-bromo-N,N,2,5-tetramethylbenzamide
CID 176915241
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
2-bromo-N,4,5-trimethoxy-N-methylbenzamide
CID 90127344
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
3-[(4-bromo-2,5-dimethylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 120524139
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide
CID 58137450
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-N,2,5-trimethylbenzamide?
The IUPAC name of 4-bromo-N-methoxy-N,2,5-trimethylbenzamide (CID 123460356) is 4-bromo-N-methoxy-N,2,5-trimethylbenzamide.
What is the SMILES notation for 4-bromo-N-methoxy-N,2,5-trimethylbenzamide?
The canonical SMILES for 4-bromo-N-methoxy-N,2,5-trimethylbenzamide is CON(C)C(=O)c1cc(C)c(Br)cc1C.
What is the InChIKey of 4-bromo-N-methoxy-N,2,5-trimethylbenzamide?
The InChIKey is OOPVCVXDAFMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-6-10(12)8(2)5-9(7)11(14)13(3)15-4/h5-6H,1-4H3.
What are the key properties of 4-bromo-N-methoxy-N,2,5-trimethylbenzamide?
4-bromo-N-methoxy-N,2,5-trimethylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.70, 2 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,2,5-trimethylbenzamide is sourced from PubChem (CID 123460356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).