(1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide

C31H24F3N3O4 — CID 155146090

About (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide

(1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide (PubChem CID 155146090) has the molecular formula C31H24F3N3O4 and a molecular weight of 559.54 g/mol. Its IUPAC name is (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide.

Molecular Properties

• Compound Name: (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide
• PubChem CID: 155146090
• Molecular Formula: C31H24F3N3O4
• Molecular Weight: 559.54 g/mol
• Exact Mass: 559.17
• IUPAC Name: (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide
• SMILES: O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1CCc3ccccc3[C@H]2C1
• InChI: InChI=1S/C31H24F3N3O4/c32-20-12-24(33)22(25(34)13-20)14-35-30(39)23-15-37-26-16-36(11-10-19-8-4-5-9-21(19)26)31(40)27(37)29(28(23)38)41-17-18-6-2-1-3-7-18/h1-9,12-13,15,26H,10-11,14,16-17H2,(H,35,39)/t26-/m1/s1
• InChIKey: ZRZCVFLCCGDARF-AREMUKBSSA-N
• XLogP: 4.38
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.54
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide?

The IUPAC name of (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide (CID 155146090) is (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide.

What is the SMILES notation for (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide?

The canonical SMILES for (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide is O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1CCc3ccccc3[C@H]2C1.

What is the InChIKey of (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide?

The InChIKey is ZRZCVFLCCGDARF-AREMUKBSSA-N. The full InChI is InChI=1S/C31H24F3N3O4/c32-20-12-24(33)22(25(34)13-20)14-35-30(39)23-15-37-26-16-36(11-10-19-8-4-5-9-21(19)26)31(40)27(37)29(28(23)38)41-17-18-6-2-1-3-7-18/h1-9,12-13,15,26H,10-11,14,16-17H2,(H,35,39)/t26-/m1/s1.

What are the key properties of (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide?

(1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide has a molecular weight of 559.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide is sourced from PubChem (CID 155146090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).