N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

C16H17FN2O3 — CID 166311379

IUPACN-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESO=C1NC2(CO1)CC(C(=O)NC1CC1(F)c1ccccc1)C2
InChIInChI=1S/C16H17FN2O3/c17-16(11-4-2-1-3-5-11)8-12(16)18-13(20)10-6-15(7-10)9-22-14(21)19-15/h1-5,10,12H,6-9H2,(H,18,20)(H,19,21)
InChIKeyLMDMJBDOKBFBPJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.63
Rot. Bonds3

About N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide

N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (PubChem CID 166311379) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
PubChem CID166311379
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
SMILESO=C1NC2(CO1)CC(C(=O)NC1CC1(F)c1ccccc1)C2
InChIInChI=1S/C16H17FN2O3/c17-16(11-4-2-1-3-5-11)8-12(16)18-13(20)10-6-15(7-10)9-22-14(21)19-15/h1-5,10,12H,6-9H2,(H,18,20)(H,19,21)
InChIKeyLMDMJBDOKBFBPJ-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide (CID 166311379) is N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is O=C1NC2(CO1)CC(C(=O)NC1CC1(F)c1ccccc1)C2.
What is the InChIKey of N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is LMDMJBDOKBFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-16(11-4-2-1-3-5-11)8-12(16)18-13(20)10-6-15(7-10)9-22-14(21)19-15/h1-5,10,12H,6-9H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide?
N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 166311379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).