3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine

C110H115BrF21N39O19 — CID 160503951

About 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine

3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine (PubChem CID 160503951) has the molecular formula C110H115BrF21N39O19 and a molecular weight of 2766.25 g/mol. Its IUPAC name is 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine.

Molecular Properties

• Compound Name: 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine
• PubChem CID: 160503951
• Molecular Formula: C110H115BrF21N39O19
• Molecular Weight: 2766.25 g/mol
• Exact Mass: 2763.81
• IUPAC Name: 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine
• SMILES: C.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CC(F)(F)C(F)(F)Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)O.N#CBr.NC(=O)c1ccc(F)c([N+](=O)[O-])c1.NC(=O)c1ccc(NCC(F)(F)C(F)(F)CNc2ccc(C(N)=O)cc2N)c(N)c1.NC(=O)c1ccc(NCC(F)(F)C(F)(F)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.NC(=O)c1ccc2c(c1)nc(N)n2CC(F)(F)C(F)(F)Cn1c(N)nc2cc(C(N)=O)ccc21.NCC(F)(F)C(F)(F)CN
• InChI: InChI=1S/C34H34F4N12O4.C20H18F4N8O2.C18H16F4N6O6.C18H20F4N6O2.C7H5FN2O3.C7H10N2O2.C4H8F4N2.CBrN.CH4/c1-5-49-25(11-17(3)45-49)29(53)43-31-41-21-13-19(27(39)51)7-9-23(21)47(31)15-33(35,36)34(37,38)16-48-24-10-8-20(28(40)52)14-22(24)42-32(48)44-30(54)26-12-18(4)46-50(26)6-2;21-19(22,7-31-13-3-1-9(15(25)33)5-11(13)29-17(31)27)20(23,24)8-32-14-4-2-10(16(26)34)6-12(14)30-18(32)28;19-17(20,7-25-11-3-1-9(15(23)29)5-13(11)27(31)32)18(21,22)8-26-12-4-2-10(16(24)30)6-14(12)28(33)34;19-17(20,7-27-13-3-1-9(15(25)29)5-11(13)23)18(21,22)8-28-14-4-2-10(16(26)30)6-12(14)24;8-5-2-1-4(7(9)11)3-6(5)10(12)13;1-3-9-6(7(10)11)4-5(2)8-9;5-3(6,1-9)4(7,8)2-10;2-1-3;/h7-14H,5-6,15-16H2,1-4H3,(H2,39,51)(H2,40,52)(H,41,43,53)(H,42,44,54);1-6H,7-8H2,(H2,25,33)(H2,26,34)(H2,27,29)(H2,28,30);1-6,25-26H,7-8H2,(H2,23,29)(H2,24,30);1-6,27-28H,7-8,23-24H2,(H2,25,29)(H2,26,30);1-3H,(H2,9,11);4H,3H2,1-2H3,(H,10,11);1-2,9-10H2;;1H4
• InChIKey: QSDKRHULAVSQIF-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 965.50 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 43
• Rotatable Bonds: 47
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2766.25
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine?

The IUPAC name of 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine (CID 160503951) is 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine.

What is the SMILES notation for 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine?

The canonical SMILES for 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine is C.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CC(F)(F)C(F)(F)Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21.CCn1nc(C)cc1C(=O)O.N#CBr.NC(=O)c1ccc(F)c([N+](=O)[O-])c1.NC(=O)c1ccc(NCC(F)(F)C(F)(F)CNc2ccc(C(N)=O)cc2N)c(N)c1.NC(=O)c1ccc(NCC(F)(F)C(F)(F)CNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.NC(=O)c1ccc2c(c1)nc(N)n2CC(F)(F)C(F)(F)Cn1c(N)nc2cc(C(N)=O)ccc21.NCC(F)(F)C(F)(F)CN.

What is the InChIKey of 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine?

The InChIKey is QSDKRHULAVSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N12O4.C20H18F4N8O2.C18H16F4N6O6.C18H20F4N6O2.C7H5FN2O3.C7H10N2O2.C4H8F4N2.CBrN.CH4/c1-5-49-25(11-17(3)45-49)29(53)43-31-41-21-13-19(27(39)51)7-9-23(21)47(31)15-33(35,36)34(37,38)16-48-24-10-8-20(28(40)52)14-22(24)42-32(48)44-30(54)26-12-18(4)46-50(26)6-2;21-19(22,7-31-13-3-1-9(15(25)33)5-11(13)29-17(31)27)20(23,24)8-32-14-4-2-10(16(26)34)6-12(14)30-18(32)28;19-17(20,7-25-11-3-1-9(15(23)29)5-13(11)27(31)32)18(21,22)8-26-12-4-2-10(16(24)30)6-14(12)28(33)34;19-17(20,7-27-13-3-1-9(15(25)29)5-11(13)23)18(21,22)8-28-14-4-2-10(16(26)30)6-12(14)24;8-5-2-1-4(7(9)11)3-6(5)10(12)13;1-3-9-6(7(10)11)4-5(2)8-9;5-3(6,1-9)4(7,8)2-10;2-1-3;/h7-14H,5-6,15-16H2,1-4H3,(H2,39,51)(H2,40,52)(H,41,43,53)(H,42,44,54);1-6H,7-8H2,(H2,25,33)(H2,26,34)(H2,27,29)(H2,28,30);1-6,25-26H,7-8H2,(H2,23,29)(H2,24,30);1-6,27-28H,7-8,23-24H2,(H2,25,29)(H2,26,30);1-3H,(H2,9,11);4H,3H2,1-2H3,(H,10,11);1-2,9-10H2;;1H4.

What are the key properties of 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine?

3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine has a molecular weight of 2766.25 g/mol, XLogP of 13.58, 47 rotatable bonds, 22 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-[[4-(2-amino-4-carbamoylanilino)-2,2,3,3-tetrafluorobutyl]amino]benzamide;2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)-2,2,3,3-tetrafluorobutyl]benzimidazole-5-carboxamide;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]-2,2,3,3-tetrafluorobutyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[[4-(4-carbamoyl-2-nitroanilino)-2,2,3,3-tetrafluorobutyl]amino]-3-nitrobenzamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide;methane;2,2,3,3-tetrafluorobutane-1,4-diamine is sourced from PubChem (CID 160503951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).