4-bromo-3-fluoro-5-methoxy-2-methylbenzamide

C9H9BrFNO2 — CID 87278963

IUPAC4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)c(F)c1Br
InChIInChI=1S/C9H9BrFNO2/c1-4-5(9(12)13)3-6(14-2)7(10)8(4)11/h3H,1-2H3,(H2,12,13)
InChIKeyDVLAAAXWCZYTJJ-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.00
Rot. Bonds2

About 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide

4-bromo-3-fluoro-5-methoxy-2-methylbenzamide (PubChem CID 87278963) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
PubChem CID87278963
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
SMILESCOc1cc(C(N)=O)c(C)c(F)c1Br
InChIInChI=1S/C9H9BrFNO2/c1-4-5(9(12)13)3-6(14-2)7(10)8(4)11/h3H,1-2H3,(H2,12,13)
InChIKeyDVLAAAXWCZYTJJ-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-bromo-5-methoxy-4-methylbenzamide
CID 172598831
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
2,5-dimethoxy-4-methylbenzamide
CID 82491295
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
CID 84811157
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
3-fluoro-2,4-dimethylbenzamide
CID 119006165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide?
The IUPAC name of 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide (CID 87278963) is 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide.
What is the SMILES notation for 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide?
The canonical SMILES for 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide is COc1cc(C(N)=O)c(C)c(F)c1Br.
What is the InChIKey of 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide?
The InChIKey is DVLAAAXWCZYTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-4-5(9(12)13)3-6(14-2)7(10)8(4)11/h3H,1-2H3,(H2,12,13).
What are the key properties of 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide?
4-bromo-3-fluoro-5-methoxy-2-methylbenzamide has a molecular weight of 262.08 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-5-methoxy-2-methylbenzamide is sourced from PubChem (CID 87278963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).