(10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide

C31H23F4N3O4 — CID 155145712

About (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide

(10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide (PubChem CID 155145712) has the molecular formula C31H23F4N3O4 and a molecular weight of 577.53 g/mol. Its IUPAC name is (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide.

Molecular Properties

• Compound Name: (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
• PubChem CID: 155145712
• Molecular Formula: C31H23F4N3O4
• Molecular Weight: 577.53 g/mol
• Exact Mass: 577.16
• IUPAC Name: (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
• SMILES: O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]2CCc2cccc(F)c21
• InChI: InChI=1S/C31H23F4N3O4/c32-19-11-24(34)21(25(35)12-19)13-36-30(40)22-15-37-20-10-9-18-7-4-8-23(33)26(18)38(14-20)31(41)27(37)29(28(22)39)42-16-17-5-2-1-3-6-17/h1-8,11-12,15,20H,9-10,13-14,16H2,(H,36,40)/t20-/m1/s1
• InChIKey: LMOHJLRLRATLGI-HXUWFJFHSA-N
• XLogP: 5.06
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.53
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?

The IUPAC name of (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide (CID 155145712) is (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide.

What is the SMILES notation for (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?

The canonical SMILES for (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide is O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1C[C@H]2CCc2cccc(F)c21.

What is the InChIKey of (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?

The InChIKey is LMOHJLRLRATLGI-HXUWFJFHSA-N. The full InChI is InChI=1S/C31H23F4N3O4/c32-19-11-24(34)21(25(35)12-19)13-36-30(40)22-15-37-20-10-9-18-7-4-8-23(33)26(18)38(14-20)31(41)27(37)29(28(22)39)42-16-17-5-2-1-3-6-17/h1-8,11-12,15,20H,9-10,13-14,16H2,(H,36,40)/t20-/m1/s1.

What are the key properties of (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide?

(10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide has a molecular weight of 577.53 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-3-fluoro-14,17-dioxo-15-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide is sourced from PubChem (CID 155145712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).