2-bromo-4-fluoro-5-methylbenzamide

C8H7BrFNO — CID 131582369

IUPAC2-bromo-4-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(Br)cc1F
InChIInChI=1S/C8H7BrFNO/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,1H3,(H2,11,12)
InChIKeyXEGMSFLDRNTQNE-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.00
Rot. Bonds1

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

2-bromo-4-fluoro-5-methylbenzamide (PubChem CID 131582369) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-methylbenzamide
PubChem CID131582369
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name2-bromo-4-fluoro-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(Br)cc1F
InChIInChI=1S/C8H7BrFNO/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,1H3,(H2,11,12)
InChIKeyXEGMSFLDRNTQNE-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-methylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-5-methylbenzamide (CID 131582369) is 2-bromo-4-fluoro-5-methylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-5-methylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-5-methylbenzamide is Cc1cc(C(N)=O)c(Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-methylbenzamide?
The InChIKey is XEGMSFLDRNTQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,1H3,(H2,11,12).
What are the key properties of 2-bromo-4-fluoro-5-methylbenzamide?
2-bromo-4-fluoro-5-methylbenzamide has a molecular weight of 232.05 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-methylbenzamide is sourced from PubChem (CID 131582369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).