N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide

C13H14BrFN2O2 — CID 66195745

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H14BrFN2O2/c14-7-3-6(4-8(15)5-7)13(18)17-11-10(16)9-1-2-19-12(9)11/h3-5,9-12H,1-2,16H2,(H,17,18)
InChIKeyISZLPKADUPXZAV-UHFFFAOYSA-N
MW329.17 g/mol
LogP1.43
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide (PubChem CID 66195745) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
PubChem CID66195745
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
SMILESNC1C2CCOC2C1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H14BrFN2O2/c14-7-3-6(4-8(15)5-7)13(18)17-11-10(16)9-1-2-19-12(9)11/h3-5,9-12H,1-2,16H2,(H,17,18)
InChIKeyISZLPKADUPXZAV-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide (CID 66195745) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide is NC1C2CCOC2C1NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide?
The InChIKey is ISZLPKADUPXZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c14-7-3-6(4-8(15)5-7)13(18)17-11-10(16)9-1-2-19-12(9)11/h3-5,9-12H,1-2,16H2,(H,17,18).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide has a molecular weight of 329.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide is sourced from PubChem (CID 66195745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).