4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide

C13H15BrFNO — CID 115769071

IUPAC4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(Br)c(F)c1)C1CCC1
InChIInChI=1S/C13H15BrFNO/c1-8(9-3-2-4-9)16-13(17)10-5-6-11(14)12(15)7-10/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyWUSUWXOUVJXNSW-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.51
Rot. Bonds3

About 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide

4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide (PubChem CID 115769071) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
PubChem CID115769071
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(Br)c(F)c1)C1CCC1
InChIInChI=1S/C13H15BrFNO/c1-8(9-3-2-4-9)16-13(17)10-5-6-11(14)12(15)7-10/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyWUSUWXOUVJXNSW-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide (CID 115769071) is 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide is CC(NC(=O)c1ccc(Br)c(F)c1)C1CCC1.
What is the InChIKey of 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide?
The InChIKey is WUSUWXOUVJXNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-8(9-3-2-4-9)16-13(17)10-5-6-11(14)12(15)7-10/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide?
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide is sourced from PubChem (CID 115769071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).