N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide

C14H16BrFN2O2 — CID 66212893

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
SMILESNC1C2CCCOC2C1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c15-7-3-4-10(16)9(6-7)14(19)18-12-11(17)8-2-1-5-20-13(8)12/h3-4,6,8,11-13H,1-2,5,17H2,(H,18,19)
InChIKeyNBDRWXORIATWCX-UHFFFAOYSA-N
MW343.20 g/mol
LogP1.82
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide (PubChem CID 66212893) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
PubChem CID66212893
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
SMILESNC1C2CCCOC2C1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c15-7-3-4-10(16)9(6-7)14(19)18-12-11(17)8-2-1-5-20-13(8)12/h3-4,6,8,11-13H,1-2,5,17H2,(H,18,19)
InChIKeyNBDRWXORIATWCX-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-bromo-2-methylbenzamide
CID 66194773
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide
CID 66195936
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
CID 107672151
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
CID 66195745
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767098
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide
CID 66196124
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-chloro-2-methylbenzamide
CID 107098242
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 66213480
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide (CID 66212893) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide is NC1C2CCCOC2C1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide?
The InChIKey is NBDRWXORIATWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c15-7-3-4-10(16)9(6-7)14(19)18-12-11(17)8-2-1-5-20-13(8)12/h3-4,6,8,11-13H,1-2,5,17H2,(H,18,19).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide has a molecular weight of 343.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 66212893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).