[(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium

C22H25ClFN8O2U5- — CID 167407529

About [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium

[(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium (PubChem CID 167407529) has the molecular formula C22H25ClFN8O2U5- and a molecular weight of 1678.09 g/mol. Its IUPAC name is [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium.

Molecular Properties

• Compound Name: [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium
• PubChem CID: 167407529
• Molecular Formula: C22H25ClFN8O2U5-
• Molecular Weight: 1678.09 g/mol
• Exact Mass: 1677.43
• IUPAC Name: [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium
• SMILES: C/N=C(\N)[N-]Cc1ccc2c(c1)C[C@H](CN=C(N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.[U].[U].[U].[U].[U]
• InChI: InChI=1S/C22H26ClFN8O2.5U/c1-28-22(27)30-9-11-2-4-15-12(6-11)7-13(10-29-21(25)26)18(15)32-20(34)19(33)31-14-3-5-16(23)17(24)8-14;;;;;/h2-6,8,13,18H,7,9-10H2,1H3,(H9,25,26,27,28,29,30,31,32,33,34);;;;;/p-1/t13-,18-;;;;;/m1...../s1
• InChIKey: GHZKGFJRSICLGH-INZBFBKXSA-M
• XLogP: 1.54
• TPSA: 175.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1678.09
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium?

The IUPAC name of [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium (CID 167407529) is [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium.

What is the SMILES notation for [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium?

The canonical SMILES for [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium is C/N=C(\N)[N-]Cc1ccc2c(c1)C[C@H](CN=C(N)N)[C@H]2NC(=O)C(=O)Nc1ccc(Cl)c(F)c1.[U].[U].[U].[U].[U].

What is the InChIKey of [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium?

The InChIKey is GHZKGFJRSICLGH-INZBFBKXSA-M. The full InChI is InChI=1S/C22H26ClFN8O2.5U/c1-28-22(27)30-9-11-2-4-15-12(6-11)7-13(10-29-21(25)26)18(15)32-20(34)19(33)31-14-3-5-16(23)17(24)8-14;;;;;/h2-6,8,13,18H,7,9-10H2,1H3,(H9,25,26,27,28,29,30,31,32,33,34);;;;;/p-1/t13-,18-;;;;;/m1...../s1.

What are the key properties of [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium?

[(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium has a molecular weight of 1678.09 g/mol, XLogP of 1.54, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2-[(diaminomethylideneamino)methyl]-2,3-dihydro-1H-inden-5-yl]methyl-(N'-methylcarbamimidoyl)azanide;uranium is sourced from PubChem (CID 167407529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).