2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide

C13H15BrFNO — CID 114559748

IUPAC2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
SMILESCCC1(NC(=O)c2c(F)cccc2Br)CCC1
InChIInChI=1S/C13H15BrFNO/c1-2-13(7-4-8-13)16-12(17)11-9(14)5-3-6-10(11)15/h3,5-6H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyPOFCRWURKNHBJJ-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.65
Rot. Bonds3

About 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide

2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide (PubChem CID 114559748) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
PubChem CID114559748
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
SMILESCCC1(NC(=O)c2c(F)cccc2Br)CCC1
InChIInChI=1S/C13H15BrFNO/c1-2-13(7-4-8-13)16-12(17)11-9(14)5-3-6-10(11)15/h3,5-6H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyPOFCRWURKNHBJJ-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
CID 114561143
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819
N-(1-ethylcyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 107122310
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide (CID 114559748) is 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide is CCC1(NC(=O)c2c(F)cccc2Br)CCC1.
What is the InChIKey of 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide?
The InChIKey is POFCRWURKNHBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-2-13(7-4-8-13)16-12(17)11-9(14)5-3-6-10(11)15/h3,5-6H,2,4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide?
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide is sourced from PubChem (CID 114559748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).