5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

C34H24F2N4O4 — CID 71509253

IUPAC5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C34H24F2N4O4/c1-37-34(42)31-22-14-21(24-11-12-28-32(38-24)27-15-20-23(36)4-2-5-25(20)40(27)17-43-28)26(39-13-3-6-30(39)41)16-29(22)44-33(31)18-7-9-19(35)10-8-18/h2,4-5,7-12,14-16H,3,6,13,17H2,1H3,(H,37,42)
InChIKeyCRMVQXCHNUHHSH-UHFFFAOYSA-N
MW590.59 g/mol
LogP6.90
Rot. Bonds4

About 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (PubChem CID 71509253) has the molecular formula C34H24F2N4O4 and a molecular weight of 590.59 g/mol. Its IUPAC name is 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
PubChem CID71509253
Molecular FormulaC34H24F2N4O4
Molecular Weight590.59 g/mol
Exact Mass590.18
IUPAC Name5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C34H24F2N4O4/c1-37-34(42)31-22-14-21(24-11-12-28-32(38-24)27-15-20-23(36)4-2-5-25(20)40(27)17-43-28)26(39-13-3-6-30(39)41)16-29(22)44-33(31)18-7-9-19(35)10-8-18/h2,4-5,7-12,14-16H,3,6,13,17H2,1H3,(H,37,42)
InChIKeyCRMVQXCHNUHHSH-UHFFFAOYSA-N
XLogP6.90
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.59
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (CID 71509253) is 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CCCC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.
What is the InChIKey of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The InChIKey is CRMVQXCHNUHHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F2N4O4/c1-37-34(42)31-22-14-21(24-11-12-28-32(38-24)27-15-20-23(36)4-2-5-25(20)40(27)17-43-28)26(39-13-3-6-30(39)41)16-29(22)44-33(31)18-7-9-19(35)10-8-18/h2,4-5,7-12,14-16H,3,6,13,17H2,1H3,(H,37,42).
What are the key properties of 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide has a molecular weight of 590.59 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71509253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).