5-bromo-2-(difluoromethoxy)-N-methylbenzamide

C9H8BrF2NO2 — CID 59703438

IUPAC5-bromo-2-(difluoromethoxy)-N-methylbenzamide
SMILESCNC(=O)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-13-8(14)6-4-5(10)2-3-7(6)15-9(11)12/h2-4,9H,1H3,(H,13,14)
InChIKeyPPJXPBFTQRQSMP-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.41
Rot. Bonds3

About 5-bromo-2-(difluoromethoxy)-N-methylbenzamide

5-bromo-2-(difluoromethoxy)-N-methylbenzamide (PubChem CID 59703438) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-N-methylbenzamide
PubChem CID59703438
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name5-bromo-2-(difluoromethoxy)-N-methylbenzamide
SMILESCNC(=O)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-13-8(14)6-4-5(10)2-3-7(6)15-9(11)12/h2-4,9H,1H3,(H,13,14)
InChIKeyPPJXPBFTQRQSMP-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 170995658
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292362
5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393442
5-bromo-2-(difluoromethoxy)-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399689
5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide
CID 19333186
2,4-dibromo-N-methylbenzamide
CID 54214948
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
CID 19283114
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
N-(4-bromo-2-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 26362983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-N-methylbenzamide (CID 59703438) is 5-bromo-2-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-N-methylbenzamide is CNC(=O)c1cc(Br)ccc1OC(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is PPJXPBFTQRQSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-13-8(14)6-4-5(10)2-3-7(6)15-9(11)12/h2-4,9H,1H3,(H,13,14).
What are the key properties of 5-bromo-2-(difluoromethoxy)-N-methylbenzamide?
5-bromo-2-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 280.07 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 59703438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).