4-bromo-3-fluoro-N-methoxy-N-methylbenzamide

C9H9BrFNO2 — CID 22313823

IUPAC4-bromo-3-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H9BrFNO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKeySLYYEMJPXWFKDE-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.22
Rot. Bonds2

About 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide

4-bromo-3-fluoro-N-methoxy-N-methylbenzamide (PubChem CID 22313823) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methoxy-N-methylbenzamide
PubChem CID22313823
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name4-bromo-3-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H9BrFNO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKeySLYYEMJPXWFKDE-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide (CID 22313823) is 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide?
The InChIKey is SLYYEMJPXWFKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide?
4-bromo-3-fluoro-N-methoxy-N-methylbenzamide has a molecular weight of 262.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 22313823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).