11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

C24H17F3N2O2 — CID 25217733

IUPAC11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1ccc(Cn2c3ccc(C(F)(F)F)cc3c3c4cccnc4oc(=O)c32)c(C)c1
InChIInChI=1S/C24H17F3N2O2/c1-13-5-6-15(14(2)10-13)12-29-19-8-7-16(24(25,26)27)11-18(19)20-17-4-3-9-28-22(17)31-23(30)21(20)29/h3-11H,12H2,1-2H3
InChIKeyYLOJSXZVMMLTPY-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.98
Rot. Bonds2

About 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (PubChem CID 25217733) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.

Molecular Properties

Compound Name11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
PubChem CID25217733
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1ccc(Cn2c3ccc(C(F)(F)F)cc3c3c4cccnc4oc(=O)c32)c(C)c1
InChIInChI=1S/C24H17F3N2O2/c1-13-5-6-15(14(2)10-13)12-29-19-8-7-16(24(25,26)27)11-18(19)20-17-4-3-9-28-22(17)31-23(30)21(20)29/h3-11H,12H2,1-2H3
InChIKeyYLOJSXZVMMLTPY-UHFFFAOYSA-N
XLogP5.98
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The IUPAC name of 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (CID 25217733) is 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.
What is the SMILES notation for 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The canonical SMILES for 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is Cc1ccc(Cn2c3ccc(C(F)(F)F)cc3c3c4cccnc4oc(=O)c32)c(C)c1.
What is the InChIKey of 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The InChIKey is YLOJSXZVMMLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c1-13-5-6-15(14(2)10-13)12-29-19-8-7-16(24(25,26)27)11-18(19)20-17-4-3-9-28-22(17)31-23(30)21(20)29/h3-11H,12H2,1-2H3.
What are the key properties of 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one has a molecular weight of 422.41 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2,4-dimethylphenyl)methyl]-15-(trifluoromethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is sourced from PubChem (CID 25217733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).