2-bromo-5-fluoro-N-propan-2-ylbenzamide

C10H11BrFNO — CID 24689412

IUPAC2-bromo-5-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3,(H,13,14)
InChIKeyJMGZGVYFFZYKKM-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.73
Rot. Bonds2

About 2-bromo-5-fluoro-N-propan-2-ylbenzamide

2-bromo-5-fluoro-N-propan-2-ylbenzamide (PubChem CID 24689412) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-propan-2-ylbenzamide
PubChem CID24689412
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-bromo-5-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3,(H,13,14)
InChIKeyJMGZGVYFFZYKKM-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-propan-2-ylbenzamide (CID 24689412) is 2-bromo-5-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-propan-2-ylbenzamide?
The InChIKey is JMGZGVYFFZYKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-bromo-5-fluoro-N-propan-2-ylbenzamide?
2-bromo-5-fluoro-N-propan-2-ylbenzamide has a molecular weight of 260.11 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 24689412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).