4-fluoro-15-hydroxy-14,17-dioxo-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

C24H17F4N3O4 — CID 155155562

About 4-fluoro-15-hydroxy-14,17-dioxo-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

4-fluoro-15-hydroxy-14,17-dioxo-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 155155562) has the molecular formula C24H17F4N3O4 and a molecular weight of 487.41 g/mol. Its IUPAC name is 4-fluoro-15-hydroxy-14,17-dioxo-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: 4-fluoro-15-hydroxy-14,17-dioxo-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: 155155562
• Molecular Formula: C24H17F4N3O4
• Molecular Weight: 487.41 g/mol
• Exact Mass: 487.12
• IUPAC Name: 4-fluoro-15-hydroxy-14,17-dioxo-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(O)c1=O)C(=O)N1CC2CCc2ccc(F)cc21
• InChI: InChI=1S/C24H17F4N3O4/c25-12-3-1-11-2-4-14-9-31(19(11)7-12)24(35)20-22(33)21(32)16(10-30(14)20)23(34)29-8-15-17(27)5-13(26)6-18(15)28/h1,3,5-7,10,14,33H,2,4,8-9H2,(H,29,34)
• InChIKey: MGWFKBISMYLWER-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 91.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.41
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-15-hydroxy-14,17-dioxo-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 4-fluoro-15-hydroxy-14,17-dioxo-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 155155562) is 4-fluoro-15-hydroxy-14,17-dioxo-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 4-fluoro-15-hydroxy-14,17-dioxo-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 4-fluoro-15-hydroxy-14,17-dioxo-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(O)c1=O)C(=O)N1CC2CCc2ccc(F)cc21.

What is the InChIKey of 4-fluoro-15-hydroxy-14,17-dioxo-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 MGWFKBISMYLWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O4/c25-12-3-1-11-2-4-14-9-31(19(11)7-12)24(35)20-22(33)21(32)16(10-30(14)20)23(34)29-8-15-17(27)5-13(26)6-18(15)28/h1,3,5-7,10,14,33H,2,4,8-9H2,(H,29,34).

What are the key properties of 4-fluoro-15-hydroxy-14,17-dioxo-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?

4-fluoro-15-hydroxy-14,17-dioxo-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 487.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-15-hydroxy-14,17-dioxo-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 155155562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).