5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide

C24H17ClF3N3O4 — CID 155155234

About 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide

5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide (PubChem CID 155155234) has the molecular formula C24H17ClF3N3O4 and a molecular weight of 503.86 g/mol. Its IUPAC name is 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
• PubChem CID: 155155234
• Molecular Formula: C24H17ClF3N3O4
• Molecular Weight: 503.86 g/mol
• Exact Mass: 503.09
• IUPAC Name: 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
• SMILES: O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CCc3cc(Cl)ccc3C2C1
• InChI: InChI=1S/C24H17ClF3N3O4/c25-12-1-2-14-11(5-12)3-4-30-10-19(14)31-9-16(21(32)22(33)20(31)24(30)35)23(34)29-8-15-17(27)6-13(26)7-18(15)28/h1-2,5-7,9,19,33H,3-4,8,10H2,(H,29,34)
• InChIKey: SNBHIVNSAOUMSW-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 91.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.86
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

The IUPAC name of 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide (CID 155155234) is 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide.

What is the SMILES notation for 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

The canonical SMILES for 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide is O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CCc3cc(Cl)ccc3C2C1.

What is the InChIKey of 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

The InChIKey is SNBHIVNSAOUMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O4/c25-12-1-2-14-11(5-12)3-4-30-10-19(14)31-9-16(21(32)22(33)20(31)24(30)35)23(34)29-8-15-17(27)6-13(26)7-18(15)28/h1-2,5-7,9,19,33H,3-4,8,10H2,(H,29,34).

What are the key properties of 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide has a molecular weight of 503.86 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide is sourced from PubChem (CID 155155234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).