N-(2,6-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 14460000

IUPACN-(2,6-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(Nc1c(F)cccc1F)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H14F2N2O2/c23-15-8-4-9-16(24)19(15)25-21(27)18-14-7-3-6-13-11-12-5-1-2-10-17(12)26(20(13)14)22(18)28/h1-10,18H,11H2,(H,25,27)
InChIKeyXBCIWSCYISQLSH-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.27
Rot. Bonds2

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

N-(2,6-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 14460000) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-(2,6-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-(2,6-difluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
PubChem CID14460000
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC NameN-(2,6-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(Nc1c(F)cccc1F)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H14F2N2O2/c23-15-8-4-9-16(24)19(15)25-21(27)18-14-7-3-6-13-11-12-5-1-2-10-17(12)26(20(13)14)22(18)28/h1-10,18H,11H2,(H,25,27)
InChIKeyXBCIWSCYISQLSH-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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Related Compounds

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3-{4-[4-(4-Fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11646336
3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 11683077
1,2-Dihydro-N-(2,4-difluorophenyl)-1-oxopyrrolo[3,2,1-kl]phenothiazine-2-carboxamide
CID 14459975
1-Oxo-1,2-dihydro-6-thia-10b-aza-aceanthrylene-2-carboxylic acid phenylamide
CID 14459979
5-fluoro-3-[4-(4-phenyl-piperazin-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one
CID 24854106
5-Fluoro-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854267
N-(2,5-difluorophenyl)-15-oxo-8-thia-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16)-hexaene-14-carboxamide
CID 14459985
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-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-(2,6-difluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (CID 14460000) is N-(2,6-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-(2,6-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-(2,6-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(Nc1c(F)cccc1F)C1C(=O)N2c3ccccc3Cc3cccc1c32.
What is the InChIKey of N-(2,6-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 XBCIWSCYISQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-15-8-4-9-16(24)19(15)25-21(27)18-14-7-3-6-13-11-12-5-1-2-10-17(12)26(20(13)14)22(18)28/h1-10,18H,11H2,(H,25,27).
What are the key properties of N-(2,6-difluorophenyl)-15-oxo-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
N-(2,6-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-(2,6-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 14460000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).