4-bromo-2-fluoro-N-methylbenzamide

C8H7BrFNO — CID 24694329

IUPAC4-bromo-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12)
InChIKeyBAJCFNRLEJHPTQ-UHFFFAOYSA-N
MW232.05 g/mol
LogP1.95
Rot. Bonds1

About 4-bromo-2-fluoro-N-methylbenzamide

4-bromo-2-fluoro-N-methylbenzamide (PubChem CID 24694329) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-methylbenzamide
PubChem CID24694329
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name4-bromo-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12)
InChIKeyBAJCFNRLEJHPTQ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-methylbenzamide (CID 24694329) is 4-bromo-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-methylbenzamide?
The InChIKey is BAJCFNRLEJHPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12).
What are the key properties of 4-bromo-2-fluoro-N-methylbenzamide?
4-bromo-2-fluoro-N-methylbenzamide has a molecular weight of 232.05 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 24694329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).