N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

C22H15FN2O2 — CID 14459992

IUPACN-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H15FN2O2/c23-15-8-10-16(11-9-15)24-21(26)19-17-6-3-5-14-12-13-4-1-2-7-18(13)25(20(14)17)22(19)27/h1-11,19H,12H2,(H,24,26)
InChIKeyVDYLXJQLHZWBDY-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.13
Rot. Bonds2

About N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (PubChem CID 14459992) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
PubChem CID14459992
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC NameN-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H15FN2O2/c23-15-8-10-16(11-9-15)24-21(26)19-17-6-3-5-14-12-13-4-1-2-7-18(13)25(20(14)17)22(19)27/h1-11,19H,12H2,(H,24,26)
InChIKeyVDYLXJQLHZWBDY-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.13
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-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (CID 14459992) is N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is O=C(Nc1ccc(F)cc1)C1C(=O)N2c3ccccc3Cc3cccc1c32.
What is the InChIKey of N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The InChIKey is VDYLXJQLHZWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-15-8-10-16(11-9-15)24-21(26)19-17-6-3-5-14-12-13-4-1-2-7-18(13)25(20(14)17)22(19)27/h1-11,19H,12H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is sourced from PubChem (CID 14459992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).