11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one

C22H18F3NO5 — CID 149193663

IUPAC11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
SMILESO=C1OCC2=C1C(c1cccc(C(F)(F)F)c1)c1cc3c(cc1N2CCO)OCCO3
InChIInChI=1S/C22H18F3NO5/c23-22(24,25)13-3-1-2-12(8-13)19-14-9-17-18(30-7-6-29-17)10-15(14)26(4-5-27)16-11-31-21(28)20(16)19/h1-3,8-10,19,27H,4-7,11H2
InChIKeyXDICVMRXOSSBRR-UHFFFAOYSA-N
MW433.38 g/mol
LogP3.23
Rot. Bonds3

About 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one

11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one (PubChem CID 149193663) has the molecular formula C22H18F3NO5 and a molecular weight of 433.38 g/mol. Its IUPAC name is 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one.

Molecular Properties

Compound Name11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
PubChem CID149193663
Molecular FormulaC22H18F3NO5
Molecular Weight433.38 g/mol
Exact Mass433.11
IUPAC Name11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
SMILESO=C1OCC2=C1C(c1cccc(C(F)(F)F)c1)c1cc3c(cc1N2CCO)OCCO3
InChIInChI=1S/C22H18F3NO5/c23-22(24,25)13-3-1-2-12(8-13)19-14-9-17-18(30-7-6-29-17)10-15(14)26(4-5-27)16-11-31-21(28)20(16)19/h1-3,8-10,19,27H,4-7,11H2
InChIKeyXDICVMRXOSSBRR-UHFFFAOYSA-N
XLogP3.23
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The IUPAC name of 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one (CID 149193663) is 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one.
What is the SMILES notation for 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The canonical SMILES for 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one is O=C1OCC2=C1C(c1cccc(C(F)(F)F)c1)c1cc3c(cc1N2CCO)OCCO3.
What is the InChIKey of 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The InChIKey is XDICVMRXOSSBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO5/c23-22(24,25)13-3-1-2-12(8-13)19-14-9-17-18(30-7-6-29-17)10-15(14)26(4-5-27)16-11-31-21(28)20(16)19/h1-3,8-10,19,27H,4-7,11H2.
What are the key properties of 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one has a molecular weight of 433.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hydroxyethyl)-17-[3-(trifluoromethyl)phenyl]-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one is sourced from PubChem (CID 149193663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).