6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide

C16H15F2N3O3 — CID 58134755

IUPAC6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide
SMILESNC(=O)c1cn2c3c(c(F)c(F)c(N)c3c1=O)OCCC21CCC1
InChIInChI=1S/C16H15F2N3O3/c17-9-10(18)14-12-8(11(9)19)13(22)7(15(20)23)6-21(12)16(2-1-3-16)4-5-24-14/h6H,1-5,19H2,(H2,20,23)
InChIKeyPPPBSEKFKHOUBF-UHFFFAOYSA-N
MW335.31 g/mol
LogP1.62
Rot. Bonds1

About 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide

6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide (PubChem CID 58134755) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide.

Molecular Properties

Compound Name6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide
PubChem CID58134755
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC Name6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide
SMILESNC(=O)c1cn2c3c(c(F)c(F)c(N)c3c1=O)OCCC21CCC1
InChIInChI=1S/C16H15F2N3O3/c17-9-10(18)14-12-8(11(9)19)13(22)7(15(20)23)6-21(12)16(2-1-3-16)4-5-24-14/h6H,1-5,19H2,(H2,20,23)
InChIKeyPPPBSEKFKHOUBF-UHFFFAOYSA-N
XLogP1.62
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
The IUPAC name of 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide (CID 58134755) is 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide.
What is the SMILES notation for 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
The canonical SMILES for 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide is NC(=O)c1cn2c3c(c(F)c(F)c(N)c3c1=O)OCCC21CCC1.
What is the InChIKey of 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
The InChIKey is PPPBSEKFKHOUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c17-9-10(18)14-12-8(11(9)19)13(22)7(15(20)23)6-21(12)16(2-1-3-16)4-5-24-14/h6H,1-5,19H2,(H2,20,23).
What are the key properties of 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide has a molecular weight of 335.31 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,8-difluoro-4-oxospiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide is sourced from PubChem (CID 58134755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).