3-bromo-5-fluoro-N,2-dimethoxybenzamide

C9H9BrFNO3 — CID 164892762

IUPAC3-bromo-5-fluoro-N,2-dimethoxybenzamide
SMILESCONC(=O)c1cc(F)cc(Br)c1OC
InChIInChI=1S/C9H9BrFNO3/c1-14-8-6(9(13)12-15-2)3-5(11)4-7(8)10/h3-4H,1-2H3,(H,12,13)
InChIKeyXGDFNXRDCSOHTE-UHFFFAOYSA-N
MW278.08 g/mol
LogP1.89
Rot. Bonds3

About 3-bromo-5-fluoro-N,2-dimethoxybenzamide

3-bromo-5-fluoro-N,2-dimethoxybenzamide (PubChem CID 164892762) has the molecular formula C9H9BrFNO3 and a molecular weight of 278.08 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N,2-dimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N,2-dimethoxybenzamide
PubChem CID164892762
Molecular FormulaC9H9BrFNO3
Molecular Weight278.08 g/mol
Exact Mass276.97
IUPAC Name3-bromo-5-fluoro-N,2-dimethoxybenzamide
SMILESCONC(=O)c1cc(F)cc(Br)c1OC
InChIInChI=1S/C9H9BrFNO3/c1-14-8-6(9(13)12-15-2)3-5(11)4-7(8)10/h3-4H,1-2H3,(H,12,13)
InChIKeyXGDFNXRDCSOHTE-UHFFFAOYSA-N
XLogP1.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
CID 24640379
3,5-dibromo-2-methoxybenzamide
CID 28665425
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3-(3-bromo-5-fluoro-2-methoxyphenyl)propanoic acid
CID 84714596
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
ethyl 2-[(3-bromo-2,5-dimethoxybenzoyl)amino]acetate
CID 47257365
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethoxybenzamide
CID 106179978

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N,2-dimethoxybenzamide?
The IUPAC name of 3-bromo-5-fluoro-N,2-dimethoxybenzamide (CID 164892762) is 3-bromo-5-fluoro-N,2-dimethoxybenzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N,2-dimethoxybenzamide?
The canonical SMILES for 3-bromo-5-fluoro-N,2-dimethoxybenzamide is CONC(=O)c1cc(F)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-fluoro-N,2-dimethoxybenzamide?
The InChIKey is XGDFNXRDCSOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO3/c1-14-8-6(9(13)12-15-2)3-5(11)4-7(8)10/h3-4H,1-2H3,(H,12,13).
What are the key properties of 3-bromo-5-fluoro-N,2-dimethoxybenzamide?
3-bromo-5-fluoro-N,2-dimethoxybenzamide has a molecular weight of 278.08 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N,2-dimethoxybenzamide is sourced from PubChem (CID 164892762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).