4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide

C23H13F4N3O3 — CID 25216652

IUPAC4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide
SMILESNC(=O)c1ccc(F)c(Cn2c3ccc(C(F)(F)F)cc3c3c4cccnc4oc(=O)c32)c1
InChIInChI=1S/C23H13F4N3O3/c24-16-5-3-11(20(28)31)8-12(16)10-30-17-6-4-13(23(25,26)27)9-15(17)18-14-2-1-7-29-21(14)33-22(32)19(18)30/h1-9H,10H2,(H2,28,31)
InChIKeyFILFPKNHCBKPAM-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.60
Rot. Bonds3

About 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide

4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide (PubChem CID 25216652) has the molecular formula C23H13F4N3O3 and a molecular weight of 455.37 g/mol. Its IUPAC name is 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide
PubChem CID25216652
Molecular FormulaC23H13F4N3O3
Molecular Weight455.37 g/mol
Exact Mass455.09
IUPAC Name4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide
SMILESNC(=O)c1ccc(F)c(Cn2c3ccc(C(F)(F)F)cc3c3c4cccnc4oc(=O)c32)c1
InChIInChI=1S/C23H13F4N3O3/c24-16-5-3-11(20(28)31)8-12(16)10-30-17-6-4-13(23(25,26)27)9-15(17)18-14-2-1-7-29-21(14)33-22(32)19(18)30/h1-9H,10H2,(H2,28,31)
InChIKeyFILFPKNHCBKPAM-UHFFFAOYSA-N
XLogP4.60
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide (CID 25216652) is 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide is NC(=O)c1ccc(F)c(Cn2c3ccc(C(F)(F)F)cc3c3c4cccnc4oc(=O)c32)c1.
What is the InChIKey of 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide?
The InChIKey is FILFPKNHCBKPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F4N3O3/c24-16-5-3-11(20(28)31)8-12(16)10-30-17-6-4-13(23(25,26)27)9-15(17)18-14-2-1-7-29-21(14)33-22(32)19(18)30/h1-9H,10H2,(H2,28,31).
What are the key properties of 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide?
4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide has a molecular weight of 455.37 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[9-oxo-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-11-yl]methyl]benzamide is sourced from PubChem (CID 25216652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).