15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one

C22H24F2N2O2 — CID 170199748

IUPAC15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one
SMILESCC1C(F)CN2C(=O)N(C)CCOc3ccccc3-c3cccc(c3F)CC12
InChIInChI=1S/C22H24F2N2O2/c1-14-18(23)13-26-19(14)12-15-6-5-8-17(21(15)24)16-7-3-4-9-20(16)28-11-10-25(2)22(26)27/h3-9,14,18-19H,10-13H2,1-2H3
InChIKeyBJIXTJRCNVHLDX-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.14
Rot. Bonds

About 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one

15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one (PubChem CID 170199748) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one.

Molecular Properties

Compound Name15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one
PubChem CID170199748
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one
SMILESCC1C(F)CN2C(=O)N(C)CCOc3ccccc3-c3cccc(c3F)CC12
InChIInChI=1S/C22H24F2N2O2/c1-14-18(23)13-26-19(14)12-15-6-5-8-17(21(15)24)16-7-3-4-9-20(16)28-11-10-25(2)22(26)27/h3-9,14,18-19H,10-13H2,1-2H3
InChIKeyBJIXTJRCNVHLDX-UHFFFAOYSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one with MolForge

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Related Compounds

N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
CID 169174029
1-fluoro-N-(23-fluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)methanesulfonamide
CID 170199965
16-(ethylsulfanylamino)-23-fluoro-11-methylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-12-one
CID 169174032
1,1-difluoro-N-(6,15,23-trifluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)ethanesulfonamide
CID 176836396
23-fluoro-11,14-dimethylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-16,5'-morpholine]-3',12-dione
CID 174263444
(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
CID 169173845
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1,1-difluoromethanesulfonamide
CID 169296454
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1-fluoromethanesulfonamide
CID 169173859
1,1-difluoro-N-(14,14,22-trifluoro-11-oxo-8-oxa-12-azatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 170199942
1-fluoro-N-(14,14,22-trifluoro-11-oxo-8-oxa-12-azatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 176836338
1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide
CID 170200009
2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide
CID 176836377

Frequently Asked Questions

What is the IUPAC name of 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one?
The IUPAC name of 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one (CID 170199748) is 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one.
What is the SMILES notation for 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one?
The canonical SMILES for 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one is CC1C(F)CN2C(=O)N(C)CCOc3ccccc3-c3cccc(c3F)CC12.
What is the InChIKey of 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one?
The InChIKey is BJIXTJRCNVHLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-14-18(23)13-26-19(14)12-15-6-5-8-17(21(15)24)16-7-3-4-9-20(16)28-11-10-25(2)22(26)27/h3-9,14,18-19H,10-13H2,1-2H3.
What are the key properties of 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one?
15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one has a molecular weight of 386.44 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,23-difluoro-11,16-dimethyl-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-12-one is sourced from PubChem (CID 170199748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).