(1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide

C48H36Cl2F4N6O8 — CID 160527999

About (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide

(1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide (PubChem CID 160527999) has the molecular formula C48H36Cl2F4N6O8 and a molecular weight of 971.75 g/mol. Its IUPAC name is (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide.

Molecular Properties

• Compound Name: (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
• PubChem CID: 160527999
• Molecular Formula: C48H36Cl2F4N6O8
• Molecular Weight: 971.75 g/mol
• Exact Mass: 970.19
• IUPAC Name: (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CCc3cc(Cl)ccc3[C@@H]2C1.O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CCc3cc(Cl)ccc3[C@H]2C1
• InChI: InChI=1S/2C24H18ClF2N3O4/c2*25-14-2-4-16-12(7-14)5-6-29-11-19(16)30-10-17(21(31)22(32)20(30)24(29)34)23(33)28-9-13-1-3-15(26)8-18(13)27/h2*1-4,7-8,10,19,32H,5-6,9,11H2,(H,28,33)/t2*19-/m10/s1
• InChIKey: QVDWPIFMHMBDGI-OYPHMNEHSA-N
• XLogP: 6.03
• TPSA: 183.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.75
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

The IUPAC name of (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide (CID 160527999) is (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-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 (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

The canonical SMILES for (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide is O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CCc3cc(Cl)ccc3[C@@H]2C1.O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CCc3cc(Cl)ccc3[C@H]2C1.

What is the InChIKey of (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

The InChIKey is QVDWPIFMHMBDGI-OYPHMNEHSA-N. The full InChI is InChI=1S/2C24H18ClF2N3O4/c2*25-14-2-4-16-12(7-14)5-6-29-11-19(16)30-10-17(21(31)22(32)20(30)24(29)34)23(33)28-9-13-1-3-15(26)8-18(13)27/h2*1-4,7-8,10,19,32H,5-6,9,11H2,(H,28,33)/t2*19-/m10/s1.

What are the key properties of (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?

(1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-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 971.75 g/mol, XLogP of 6.03, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-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 160527999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).