3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione

C136H126F14IN15O21 — CID 161375838

About 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione

3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione (PubChem CID 161375838) has the molecular formula C136H126F14IN15O21 and a molecular weight of 2699.46 g/mol. Its IUPAC name is 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione.

Molecular Properties

• Compound Name: 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
• PubChem CID: 161375838
• Molecular Formula: C136H126F14IN15O21
• Molecular Weight: 2699.46 g/mol
• Exact Mass: 2697.81
• IUPAC Name: 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
• SMILES: O=C(NCc1c(F)cc(F)cc1F)c1c2n3c(c(O)c1=O)C(=O)N1CCCC[C@@]3(C[C@H]2F)C1.O=C(NCc1c(F)cc(F)cc1F)c1c2n3c(c(O)c1=O)C(=O)N1CCCC[C@]3(C[C@@H]2F)C1.O=C(NCc1c(F)cc(F)cc1F)c1c2n3c(c(OCc4ccccc4)c1=O)C(=O)N1CCCCC3(CC2F)C1.O=C1c2c(OCc3ccccc3)c(=O)c(I)c3n2C2(CCCCN1C2)CC3F.O=C1c2c(OCc3ccccc3)c(=O)cc3n2C2(CCCCN1C2)CC3.O=C1c2c(OCc3ccccc3)c(=O)cc3n2C2(CCCCN1C2)CC3F
• InChI: InChI=1S/C29H25F4N3O4.2C22H19F4N3O4.C21H20FIN2O3.C21H21FN2O3.C21H22N2O3/c30-17-10-19(31)18(20(32)11-17)13-34-27(38)22-23-21(33)12-29-8-4-5-9-35(15-29)28(39)24(36(23)29)26(25(22)37)40-14-16-6-2-1-3-7-16;2*23-10-5-12(24)11(13(25)6-10)8-27-20(32)15-16-14(26)7-22-3-1-2-4-28(9-22)21(33)17(29(16)22)19(31)18(15)30;22-14-10-21-8-4-5-9-24(12-21)20(27)17-19(18(26)15(23)16(14)25(17)21)28-11-13-6-2-1-3-7-13;22-15-11-21-8-4-5-9-23(13-21)20(26)18-19(17(25)10-16(15)24(18)21)27-12-14-6-2-1-3-7-14;24-17-12-16-8-10-21-9-4-5-11-22(14-21)20(25)18(23(16)21)19(17)26-13-15-6-2-1-3-7-15/h1-3,6-7,10-11,21H,4-5,8-9,12-15H2,(H,34,38);2*5-6,14,31H,1-4,7-9H2,(H,27,32);1-3,6-7,14H,4-5,8-12H2;1-3,6-7,10,15H,4-5,8-9,11-13H2;1-3,6-7,12H,4-5,8-11,13-14H2/t;2*14-,22-;;;/m.10.../s1
• InChIKey: VRBJVJPLJOLGQW-QEGPOKTBSA-N
• XLogP: 19.49
• TPSA: 418.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2699.46
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?

The IUPAC name of 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione (CID 161375838) is 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione.

What is the SMILES notation for 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?

The canonical SMILES for 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione is O=C(NCc1c(F)cc(F)cc1F)c1c2n3c(c(O)c1=O)C(=O)N1CCCC[C@@]3(C[C@H]2F)C1.O=C(NCc1c(F)cc(F)cc1F)c1c2n3c(c(O)c1=O)C(=O)N1CCCC[C@]3(C[C@@H]2F)C1.O=C(NCc1c(F)cc(F)cc1F)c1c2n3c(c(OCc4ccccc4)c1=O)C(=O)N1CCCCC3(CC2F)C1.O=C1c2c(OCc3ccccc3)c(=O)c(I)c3n2C2(CCCCN1C2)CC3F.O=C1c2c(OCc3ccccc3)c(=O)cc3n2C2(CCCCN1C2)CC3.O=C1c2c(OCc3ccccc3)c(=O)cc3n2C2(CCCCN1C2)CC3F.

What is the InChIKey of 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?

The InChIKey is VRBJVJPLJOLGQW-QEGPOKTBSA-N. The full InChI is InChI=1S/C29H25F4N3O4.2C22H19F4N3O4.C21H20FIN2O3.C21H21FN2O3.C21H22N2O3/c30-17-10-19(31)18(20(32)11-17)13-34-27(38)22-23-21(33)12-29-8-4-5-9-35(15-29)28(39)24(36(23)29)26(25(22)37)40-14-16-6-2-1-3-7-16;2*23-10-5-12(24)11(13(25)6-10)8-27-20(32)15-16-14(26)7-22-3-1-2-4-28(9-22)21(33)17(29(16)22)19(31)18(15)30;22-14-10-21-8-4-5-9-24(12-21)20(27)17-19(18(26)15(23)16(14)25(17)21)28-11-13-6-2-1-3-7-13;22-15-11-21-8-4-5-9-23(13-21)20(26)18-19(17(25)10-16(15)24(18)21)27-12-14-6-2-1-3-7-14;24-17-12-16-8-10-21-9-4-5-11-22(14-21)20(25)18(23(16)21)19(17)26-13-15-6-2-1-3-7-15/h1-3,6-7,10-11,21H,4-5,8-9,12-15H2,(H,34,38);2*5-6,14,31H,1-4,7-9H2,(H,27,32);1-3,6-7,14H,4-5,8-12H2;1-3,6-7,10,15H,4-5,8-9,11-13H2;1-3,6-7,12H,4-5,8-11,13-14H2/t;2*14-,22-;;;/m.10.../s1.

What are the key properties of 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione?

3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione has a molecular weight of 2699.46 g/mol, XLogP of 19.49, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione is sourced from PubChem (CID 161375838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).