14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide

C24H26FNO3 — CID 121265958

IUPAC14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCCCO3
InChIInChI=1S/C24H26FNO3/c1-26-24(27)22-21-18-8-6-4-2-3-5-7-15-28-19(18)13-14-20(21)29-23(22)16-9-11-17(25)12-10-16/h9-14H,2-8,15H2,1H3,(H,26,27)
InChIKeyMMOQGYFXYCFAIP-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.87
Rot. Bonds2

About 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide

14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide (PubChem CID 121265958) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide.

Molecular Properties

Compound Name14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide
PubChem CID121265958
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCCCO3
InChIInChI=1S/C24H26FNO3/c1-26-24(27)22-21-18-8-6-4-2-3-5-7-15-28-19(18)13-14-20(21)29-23(22)16-9-11-17(25)12-10-16/h9-14H,2-8,15H2,1H3,(H,26,27)
InChIKeyMMOQGYFXYCFAIP-UHFFFAOYSA-N
XLogP5.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide?
The IUPAC name of 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide (CID 121265958) is 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide.
What is the SMILES notation for 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide?
The canonical SMILES for 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCCCO3.
What is the InChIKey of 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide?
The InChIKey is MMOQGYFXYCFAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-26-24(27)22-21-18-8-6-4-2-3-5-7-15-28-19(18)13-14-20(21)29-23(22)16-9-11-17(25)12-10-16/h9-14H,2-8,15H2,1H3,(H,26,27).
What are the key properties of 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide?
14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide is sourced from PubChem (CID 121265958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).