(1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

C29H27F4N3O5 — CID 163235274

About (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

(1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (PubChem CID 163235274) has the molecular formula C29H27F4N3O5 and a molecular weight of 573.54 g/mol. Its IUPAC name is (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.

Molecular Properties

• Compound Name: (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
• PubChem CID: 163235274
• Molecular Formula: C29H27F4N3O5
• Molecular Weight: 573.54 g/mol
• Exact Mass: 573.19
• IUPAC Name: (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
• SMILES: CO[C@@H]1C[C@H](F)[C@H](C)N2C[C@H]1n1cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(OCc3ccccc3)c1C2=O
• InChI: InChI=1S/C29H27F4N3O5/c1-15-20(31)10-24(40-2)23-13-35(15)29(39)25-27(41-14-16-6-4-3-5-7-16)26(37)19(12-36(23)25)28(38)34-11-18-21(32)8-17(30)9-22(18)33/h3-9,12,15,20,23-24H,10-11,13-14H2,1-2H3,(H,34,38)/t15-,20-,23+,24+/m0/s1
• InChIKey: IQJINNPTQFSTPN-YSCRXONVSA-N
• XLogP: 3.92
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.54
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

The IUPAC name of (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (CID 163235274) is (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.

What is the SMILES notation for (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

The canonical SMILES for (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is CO[C@@H]1C[C@H](F)[C@H](C)N2C[C@H]1n1cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(OCc3ccccc3)c1C2=O.

What is the InChIKey of (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

The InChIKey is IQJINNPTQFSTPN-YSCRXONVSA-N. The full InChI is InChI=1S/C29H27F4N3O5/c1-15-20(31)10-24(40-2)23-13-35(15)29(39)25-27(41-14-16-6-4-3-5-7-16)26(37)19(12-36(23)25)28(38)34-11-18-21(32)8-17(30)9-22(18)33/h3-9,12,15,20,23-24H,10-11,13-14H2,1-2H3,(H,34,38)/t15-,20-,23+,24+/m0/s1.

What are the key properties of (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

(1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide has a molecular weight of 573.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,10S,11S,13R)-11-fluoro-13-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is sourced from PubChem (CID 163235274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).