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

C22H14F2N2O2 — CID 14459993

IUPACN-(2,4-difluorophenyl)-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)cc1F)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H14F2N2O2/c23-14-8-9-17(16(24)11-14)25-21(27)19-15-6-3-5-13-10-12-4-1-2-7-18(12)26(20(13)15)22(19)28/h1-9,11,19H,10H2,(H,25,27)
InChIKeyGJLDPGXQDWKZDK-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.27
Rot. Bonds2

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

N-(2,4-difluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (PubChem CID 14459993) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
PubChem CID14459993
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC NameN-(2,4-difluorophenyl)-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)cc1F)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H14F2N2O2/c23-14-8-9-17(16(24)11-14)25-21(27)19-15-6-3-5-13-10-12-4-1-2-7-18(12)26(20(13)15)22(19)28/h1-9,11,19H,10H2,(H,25,27)
InChIKeyGJLDPGXQDWKZDK-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.27
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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (CID 14459993) is N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-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)cc1F)C1C(=O)N2c3ccccc3Cc3cccc1c32.
What is the InChIKey of N-(2,4-difluorophenyl)-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 GJLDPGXQDWKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-14-8-9-17(16(24)11-14)25-21(27)19-15-6-3-5-13-10-12-4-1-2-7-18(12)26(20(13)15)22(19)28/h1-9,11,19H,10H2,(H,25,27).
What are the key properties of N-(2,4-difluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
N-(2,4-difluorophenyl)-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 376.36 g/mol, XLogP of 4.27, 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)-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 14459993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).