15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide

C25H28FNO3 — CID 121265944

IUPAC15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCCCCO3
InChIInChI=1S/C25H28FNO3/c1-27-25(28)23-22-19-9-7-5-3-2-4-6-8-16-29-20(19)14-15-21(22)30-24(23)17-10-12-18(26)13-11-17/h10-15H,2-9,16H2,1H3,(H,27,28)
InChIKeyGIDMYASQOUMWON-UHFFFAOYSA-N
MW409.50 g/mol
LogP6.26
Rot. Bonds2

About 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide

15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide (PubChem CID 121265944) has the molecular formula C25H28FNO3 and a molecular weight of 409.50 g/mol. Its IUPAC name is 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide.

Molecular Properties

Compound Name15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide
PubChem CID121265944
Molecular FormulaC25H28FNO3
Molecular Weight409.50 g/mol
Exact Mass409.21
IUPAC Name15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCCCCO3
InChIInChI=1S/C25H28FNO3/c1-27-25(28)23-22-19-9-7-5-3-2-4-6-8-16-29-20(19)14-15-21(22)30-24(23)17-10-12-18(26)13-11-17/h10-15H,2-9,16H2,1H3,(H,27,28)
InChIKeyGIDMYASQOUMWON-UHFFFAOYSA-N
XLogP6.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide?
The IUPAC name of 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide (CID 121265944) is 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide.
What is the SMILES notation for 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide?
The canonical SMILES for 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc3c(c12)CCCCCCCCCO3.
What is the InChIKey of 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide?
The InChIKey is GIDMYASQOUMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO3/c1-27-25(28)23-22-19-9-7-5-3-2-4-6-8-16-29-20(19)14-15-21(22)30-24(23)17-10-12-18(26)13-11-17/h10-15H,2-9,16H2,1H3,(H,27,28).
What are the key properties of 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide?
15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide has a molecular weight of 409.50 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide is sourced from PubChem (CID 121265944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).