N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide

C23H16F2N2O2 — CID 14460008

IUPACN-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1C(=O)N2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C23H16F2N2O2/c24-15-10-11-18(17(25)12-15)26-22(28)20-16-6-3-5-14-9-8-13-4-1-2-7-19(13)27(21(14)16)23(20)29/h1-7,10-12,20H,8-9H2,(H,26,28)
InChIKeyGVIHCQGAPIJNIA-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.46
Rot. Bonds2

About N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide

N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide (PubChem CID 14460008) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
PubChem CID14460008
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC NameN-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1C(=O)N2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C23H16F2N2O2/c24-15-10-11-18(17(25)12-15)26-22(28)20-16-6-3-5-14-9-8-13-4-1-2-7-19(13)27(21(14)16)23(20)29/h1-7,10-12,20H,8-9H2,(H,26,28)
InChIKeyGVIHCQGAPIJNIA-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide (CID 14460008) is N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide is O=C(Nc1ccc(F)cc1F)C1C(=O)N2c3ccccc3CCc3cccc1c32.
What is the InChIKey of N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
The InChIKey is GVIHCQGAPIJNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c24-15-10-11-18(17(25)12-15)26-22(28)20-16-6-3-5-14-9-8-13-4-1-2-7-19(13)27(21(14)16)23(20)29/h1-7,10-12,20H,8-9H2,(H,26,28).
What are the key properties of N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide is sourced from PubChem (CID 14460008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).