2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile

C21H10FN3O2 — CID 155762283

IUPAC2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
SMILESN#Cc1ccc2nc3c(c(Oc4ccc(F)cc4)c2c1)C(=O)n1cccc1-3
InChIInChI=1S/C21H10FN3O2/c22-13-4-6-14(7-5-13)27-20-15-10-12(11-23)3-8-16(15)24-19-17-2-1-9-25(17)21(26)18(19)20/h1-10H
InChIKeyLARVSDGGFKHMBE-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.51
Rot. Bonds2

About 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile

2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile (PubChem CID 155762283) has the molecular formula C21H10FN3O2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
PubChem CID155762283
Molecular FormulaC21H10FN3O2
Molecular Weight355.33 g/mol
Exact Mass355.08
IUPAC Name2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
SMILESN#Cc1ccc2nc3c(c(Oc4ccc(F)cc4)c2c1)C(=O)n1cccc1-3
InChIInChI=1S/C21H10FN3O2/c22-13-4-6-14(7-5-13)27-20-15-10-12(11-23)3-8-16(15)24-19-17-2-1-9-25(17)21(26)18(19)20/h1-10H
InChIKeyLARVSDGGFKHMBE-UHFFFAOYSA-N
XLogP4.51
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile with MolForge

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Related Compounds

2-(4-chlorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762154
4-[(5-fluoro-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-2-yl)oxymethyl]benzonitrile
CID 155762145
2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762294
9-(4-fluorophenyl)-2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
CID 142432585
2,16-dioxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-5-carbonitrile
CID 142432599
2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile
CID 155762095
4-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]benzonitrile
CID 140839140
2-(4-fluorophenoxy)pyridine-4-carbonitrile
CID 24695486
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
indolo[3,2-d][1]benzazepine-9-carbonitrile
CID 139963449

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile?
The IUPAC name of 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile (CID 155762283) is 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile?
The canonical SMILES for 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile is N#Cc1ccc2nc3c(c(Oc4ccc(F)cc4)c2c1)C(=O)n1cccc1-3.
What is the InChIKey of 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile?
The InChIKey is LARVSDGGFKHMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10FN3O2/c22-13-4-6-14(7-5-13)27-20-15-10-12(11-23)3-8-16(15)24-19-17-2-1-9-25(17)21(26)18(19)20/h1-10H.
What are the key properties of 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile?
2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile has a molecular weight of 355.33 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile is sourced from PubChem (CID 155762283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).