14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

C21H11FN2O2 — CID 2133732

IUPAC14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESO=C1c2ccccc2-c2nn(C(=O)c3ccccc3F)c3cccc1c23
InChIInChI=1S/C21H11FN2O2/c22-16-10-4-3-8-14(16)21(26)24-17-11-5-9-15-18(17)19(23-24)12-6-1-2-7-13(12)20(15)25/h1-11H
InChIKeyKEEBFRVGRORNIZ-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.08
Rot. Bonds1

About 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (PubChem CID 2133732) has the molecular formula C21H11FN2O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
PubChem CID2133732
Molecular FormulaC21H11FN2O2
Molecular Weight342.33 g/mol
Exact Mass342.08
IUPAC Name14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESO=C1c2ccccc2-c2nn(C(=O)c3ccccc3F)c3cccc1c23
InChIInChI=1S/C21H11FN2O2/c22-16-10-4-3-8-14(16)21(26)24-17-11-5-9-15-18(17)19(23-24)12-6-1-2-7-13(12)20(15)25/h1-11H
InChIKeyKEEBFRVGRORNIZ-UHFFFAOYSA-N
XLogP4.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The IUPAC name of 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (CID 2133732) is 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The canonical SMILES for 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is O=C1c2ccccc2-c2nn(C(=O)c3ccccc3F)c3cccc1c23.
What is the InChIKey of 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The InChIKey is KEEBFRVGRORNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11FN2O2/c22-16-10-4-3-8-14(16)21(26)24-17-11-5-9-15-18(17)19(23-24)12-6-1-2-7-13(12)20(15)25/h1-11H.
What are the key properties of 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one has a molecular weight of 342.33 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-fluorobenzoyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 2133732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).