N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide

C14H17FN2O2 — CID 66211147

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
SMILESNC1C2CCCOC2C1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c15-9-5-3-8(4-6-9)14(18)17-12-11(16)10-2-1-7-19-13(10)12/h3-6,10-13H,1-2,7,16H2,(H,17,18)
InChIKeyLDYBFFVODFCIMI-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.06
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide (PubChem CID 66211147) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
PubChem CID66211147
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
SMILESNC1C2CCCOC2C1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c15-9-5-3-8(4-6-9)14(18)17-12-11(16)10-2-1-7-19-13(10)12/h3-6,10-13H,1-2,7,16H2,(H,17,18)
InChIKeyLDYBFFVODFCIMI-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide
CID 66211922
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-bromo-2-fluorobenzamide
CID 66212893
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide
CID 66212899
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
CID 66195367
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078
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
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyanobenzamide
CID 66210943
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4-fluorobenzamide
CID 66195936
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide (CID 66211147) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide is NC1C2CCCOC2C1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide?
The InChIKey is LDYBFFVODFCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-9-5-3-8(4-6-9)14(18)17-12-11(16)10-2-1-7-19-13(10)12/h3-6,10-13H,1-2,7,16H2,(H,17,18).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide has a molecular weight of 264.30 g/mol, XLogP of 1.06, 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)-4-fluorobenzamide is sourced from PubChem (CID 66211147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).