3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide

C13H15BrFNO2 — CID 106544991

IUPAC3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
SMILESCCOC1CC(NC(=O)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H15BrFNO2/c1-2-18-9-6-8(7-9)16-13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
InChIKeyMISBCTSMCDNXMJ-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.89
Rot. Bonds4

About 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide

3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide (PubChem CID 106544991) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
PubChem CID106544991
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
SMILESCCOC1CC(NC(=O)c2cccc(Br)c2F)C1
InChIInChI=1S/C13H15BrFNO2/c1-2-18-9-6-8(7-9)16-13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
InChIKeyMISBCTSMCDNXMJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
3-bromo-N-ethoxy-2-fluorobenzamide
CID 106547791
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
CID 102673953
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
3-bromo-N-cyclopentyloxy-2-fluorobenzamide
CID 106544780
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide (CID 106544991) is 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide is CCOC1CC(NC(=O)c2cccc(Br)c2F)C1.
What is the InChIKey of 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
The InChIKey is MISBCTSMCDNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-2-18-9-6-8(7-9)16-13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide has a molecular weight of 316.17 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide is sourced from PubChem (CID 106544991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).