4-bromo-5-methoxy-2-methylbenzamide

C9H10BrNO2 — CID 168987253

IUPAC4-bromo-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)cc1Br
InChIInChI=1S/C9H10BrNO2/c1-5-3-7(10)8(13-2)4-6(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeyOPWIETJLGZZBIJ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.87
Rot. Bonds2

About 4-bromo-5-methoxy-2-methylbenzamide

4-bromo-5-methoxy-2-methylbenzamide (PubChem CID 168987253) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-5-methoxy-2-methylbenzamide
PubChem CID168987253
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name4-bromo-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)cc1Br
InChIInChI=1S/C9H10BrNO2/c1-5-3-7(10)8(13-2)4-6(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeyOPWIETJLGZZBIJ-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-methoxy-2-methylbenzoyl chloride
CID 171004599
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
2,5-dimethoxy-4-methylbenzamide
CID 82491295
5-bromo-4-methoxy-2-methylbenzoyl chloride
CID 156551908
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
2-amino-3-bromo-5-methoxy-4-methylbenzamide
CID 172598831
4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
CID 87278963
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
CID 79407435

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2-methylbenzamide?
The IUPAC name of 4-bromo-5-methoxy-2-methylbenzamide (CID 168987253) is 4-bromo-5-methoxy-2-methylbenzamide.
What is the SMILES notation for 4-bromo-5-methoxy-2-methylbenzamide?
The canonical SMILES for 4-bromo-5-methoxy-2-methylbenzamide is COc1cc(C(N)=O)c(C)cc1Br.
What is the InChIKey of 4-bromo-5-methoxy-2-methylbenzamide?
The InChIKey is OPWIETJLGZZBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-5-3-7(10)8(13-2)4-6(5)9(11)12/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 4-bromo-5-methoxy-2-methylbenzamide?
4-bromo-5-methoxy-2-methylbenzamide has a molecular weight of 244.09 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-2-methylbenzamide is sourced from PubChem (CID 168987253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).