sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride

C67H47ClF5N10NaO10 — CID 159008788

About sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride

sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride (PubChem CID 159008788) has the molecular formula C67H47ClF5N10NaO10 and a molecular weight of 1306.61 g/mol. Its IUPAC name is sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride.

Molecular Properties

• Compound Name: sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride
• PubChem CID: 159008788
• Molecular Formula: C67H47ClF5N10NaO10
• Molecular Weight: 1306.61 g/mol
• Exact Mass: 1305.30
• IUPAC Name: sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CC(=O)NC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC(=O)NC(=O)CCl)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.[2H]CF.[H-].[Na+]
• InChI: InChI=1S/C33H22ClF2N5O5.C33H21F2N5O5.CH3F.Na.H/c1-37-32(43)29-20-11-19(22-9-10-26-30(38-22)25-12-18-21(36)3-2-4-24(18)41(25)15-45-26)23(39-33(44)40-28(42)14-34)13-27(20)46-31(29)16-5-7-17(35)8-6-16;1-36-32(42)29-20-11-19(22-9-10-26-30(37-22)25-12-18-21(35)3-2-4-23(18)40(25)15-44-26)24(39-14-28(41)38-33(39)43)13-27(20)45-31(29)16-5-7-17(34)8-6-16;1-2;;/h2-13H,14-15H2,1H3,(H,37,43)(H2,39,40,42,44);2-13H,14-15H2,1H3,(H,36,42)(H,38,41,43);1H3;;/q;;;+1;-1/i;;1D
• InChIKey: NBBXYWFIDLIDTP-JCJDDGPNSA-N
• XLogP: 10.19
• TPSA: 246.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1306.61
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride?

The IUPAC name of sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride (CID 159008788) is sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride.

What is the SMILES notation for sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride?

The canonical SMILES for sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N3CC(=O)NC3=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC(=O)NC(=O)CCl)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.[2H]CF.[H-].[Na+].

What is the InChIKey of sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride?

The InChIKey is NBBXYWFIDLIDTP-JCJDDGPNSA-N. The full InChI is InChI=1S/C33H22ClF2N5O5.C33H21F2N5O5.CH3F.Na.H/c1-37-32(43)29-20-11-19(22-9-10-26-30(38-22)25-12-18-21(36)3-2-4-24(18)41(25)15-45-26)23(39-33(44)40-28(42)14-34)13-27(20)46-31(29)16-5-7-17(35)8-6-16;1-36-32(42)29-20-11-19(22-9-10-26-30(37-22)25-12-18-21(35)3-2-4-23(18)40(25)15-44-26)24(39-14-28(41)38-33(39)43)13-27(20)45-31(29)16-5-7-17(34)8-6-16;1-2;;/h2-13H,14-15H2,1H3,(H,37,43)(H2,39,40,42,44);2-13H,14-15H2,1H3,(H,36,42)(H,38,41,43);1H3;;/q;;;+1;-1/i;;1D;;.

What are the key properties of sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride?

sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride has a molecular weight of 1306.61 g/mol, XLogP of 10.19, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-[(2-chloroacetyl)carbamoylamino]-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;deuterio(fluoro)methane;6-(2,4-dioxoimidazolidin-1-yl)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide;hydride is sourced from PubChem (CID 159008788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).