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

C23H17ClN2O2 — CID 14460009

IUPACN-(4-chlorophenyl)-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(Cl)cc1)C1C(=O)N2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C23H17ClN2O2/c24-16-10-12-17(13-11-16)25-22(27)20-18-6-3-5-15-9-8-14-4-1-2-7-19(14)26(21(15)18)23(20)28/h1-7,10-13,20H,8-9H2,(H,25,27)
InChIKeySBKJAILDPYLYML-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.84
Rot. Bonds2

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

N-(4-chlorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide (PubChem CID 14460009) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-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-(4-chlorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide
PubChem CID14460009
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC NameN-(4-chlorophenyl)-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(Cl)cc1)C1C(=O)N2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C23H17ClN2O2/c24-16-10-12-17(13-11-16)25-22(27)20-18-6-3-5-15-9-8-14-4-1-2-7-19(14)26(21(15)18)23(20)28/h1-7,10-13,20H,8-9H2,(H,25,27)
InChIKeySBKJAILDPYLYML-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-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-(4-chlorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide (CID 14460009) is N-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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(Cl)cc1)C1C(=O)N2c3ccccc3CCc3cccc1c32.
What is the InChIKey of N-(4-chlorophenyl)-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 SBKJAILDPYLYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-16-10-12-17(13-11-16)25-22(27)20-18-6-3-5-15-9-8-14-4-1-2-7-19(14)26(21(15)18)23(20)28/h1-7,10-13,20H,8-9H2,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-16-oxo-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaene-15-carboxamide?
N-(4-chlorophenyl)-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 388.85 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-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 14460009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).