(1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

C23H26FNO — CID 22805354

IUPAC(1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Oc2cccc(F)c2)cc13
InChIInChI=1S/C23H26FNO/c1-25-12-11-23-10-3-2-7-20(23)22(25)13-16-8-9-19(15-21(16)23)26-18-6-4-5-17(24)14-18/h4-6,8-9,14-15,20,22H,2-3,7,10-13H2,1H3/t20-,22+,23+/m0/s1
InChIKeyNAICFMKORRPJNX-MDNUFGMLSA-N
MW351.47 g/mol
LogP5.31
Rot. Bonds2

About (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

(1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (PubChem CID 22805354) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID22805354
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name(1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Oc2cccc(F)c2)cc13
InChIInChI=1S/C23H26FNO/c1-25-12-11-23-10-3-2-7-20(23)22(25)13-16-8-9-19(15-21(16)23)26-18-6-4-5-17(24)14-18/h4-6,8-9,14-15,20,22H,2-3,7,10-13H2,1H3/t20-,22+,23+/m0/s1
InChIKeyNAICFMKORRPJNX-MDNUFGMLSA-N
XLogP5.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The IUPAC name of (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (CID 22805354) is (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.
What is the SMILES notation for (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The canonical SMILES for (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Oc2cccc(F)c2)cc13.
What is the InChIKey of (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The InChIKey is NAICFMKORRPJNX-MDNUFGMLSA-N. The full InChI is InChI=1S/C23H26FNO/c1-25-12-11-23-10-3-2-7-20(23)22(25)13-16-8-9-19(15-21(16)23)26-18-6-4-5-17(24)14-18/h4-6,8-9,14-15,20,22H,2-3,7,10-13H2,1H3/t20-,22+,23+/m0/s1.
What are the key properties of (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
(1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene has a molecular weight of 351.47 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-4-(3-fluorophenoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is sourced from PubChem (CID 22805354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).