(10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide

C25H19F4N3O4 — CID 159078103

About (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide

(10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide (PubChem CID 159078103) has the molecular formula C25H19F4N3O4 and a molecular weight of 501.44 g/mol. Its IUPAC name is (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide.

Molecular Properties

• Compound Name: (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide
• PubChem CID: 159078103
• Molecular Formula: C25H19F4N3O4
• Molecular Weight: 501.44 g/mol
• Exact Mass: 501.13
• IUPAC Name: (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide
• SMILES: Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C[C@H]3CCc3cc(F)c(F)cc32)c(F)c1
• InChI: InChI=1S/C25H19F4N3O4/c1-11-4-16(26)14(17(27)5-11)8-30-24(35)15-10-31-13-3-2-12-6-18(28)19(29)7-20(12)32(9-13)25(36)21(31)23(34)22(15)33/h4-7,10,13,34H,2-3,8-9H2,1H3,(H,30,35)/t13-/m1/s1
• InChIKey: DUZREVTYMPLFKS-CYBMUJFWSA-N
• XLogP: 3.50
• TPSA: 91.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.44
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide (CID 159078103) is (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide.

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

The canonical SMILES for (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide is Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C[C@H]3CCc3cc(F)c(F)cc32)c(F)c1.

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

The InChIKey is DUZREVTYMPLFKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H19F4N3O4/c1-11-4-16(26)14(17(27)5-11)8-30-24(35)15-10-31-13-3-2-12-6-18(28)19(29)7-20(12)32(9-13)25(36)21(31)23(34)22(15)33/h4-7,10,13,34H,2-3,8-9H2,1H3,(H,30,35)/t13-/m1/s1.

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

(10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide has a molecular weight of 501.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide is sourced from PubChem (CID 159078103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).