2-bromo-N-ethyl-4-fluorobenzamide

C9H9BrFNO — CID 24698425

IUPAC2-bromo-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-2-12-9(13)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyVFQSKPXQIUULPA-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.34
Rot. Bonds2

About 2-bromo-N-ethyl-4-fluorobenzamide

2-bromo-N-ethyl-4-fluorobenzamide (PubChem CID 24698425) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-fluorobenzamide
PubChem CID24698425
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-bromo-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-2-12-9(13)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyVFQSKPXQIUULPA-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 2-bromo-N-ethyl-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-ethyl-4-fluorobenzamide (CID 24698425) is 2-bromo-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-ethyl-4-fluorobenzamide is CCNC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-fluorobenzamide?
The InChIKey is VFQSKPXQIUULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-2-12-9(13)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-ethyl-4-fluorobenzamide?
2-bromo-N-ethyl-4-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 2-bromo-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 24698425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).