5-bromo-N-ethyl-2-fluorobenzamide

C9H9BrFNO — CID 24699606

IUPAC5-bromo-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyCSVMOYVJBFMXJX-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.34
Rot. Bonds2

About 5-bromo-N-ethyl-2-fluorobenzamide

5-bromo-N-ethyl-2-fluorobenzamide (PubChem CID 24699606) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-fluorobenzamide
PubChem CID24699606
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name5-bromo-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyCSVMOYVJBFMXJX-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-ethyl-2-fluorobenzamide (CID 24699606) is 5-bromo-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-ethyl-2-fluorobenzamide is CCNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-ethyl-2-fluorobenzamide?
The InChIKey is CSVMOYVJBFMXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-ethyl-2-fluorobenzamide?
5-bromo-N-ethyl-2-fluorobenzamide has a molecular weight of 246.08 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 24699606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).