1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid

C145H158FN27O20S — CID 158121846

IUPAC1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)Cc3ccc(F)cc3N)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(CC(=O)CCCCCCC(=O)NO)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2)cc1.O=C(CCCCCCC(=O)NO)Cc1ccc(/N=N/c2ccccc2)cc1.O=NC(=O)c1ccc(NNc2ccc(C(=O)O)cc2)cc1.O=NC(=O)c1cccc(NNc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C29H31N5O2S.C23H30N4O3.C22H21FN4O.C22H29N5O3.C21H25N3O3.2C14H11N3O4/c1-34(15-17-36-16-14-30)26-11-9-25(10-12-26)33-32-24-7-4-21(5-8-24)28(35)20-23-19-22(6-13-27(23)31)29-3-2-18-37-29;1-27(2)21-15-13-20(14-16-21)25-24-19-11-9-18(10-12-19)17-22(28)7-5-3-4-6-8-23(29)26-30;1-27(2)20-11-9-19(10-12-20)26-25-18-7-4-15(5-8-18)22(28)13-16-3-6-17(23)14-21(16)24;1-27(2)20-14-12-19(13-15-20)25-24-18-10-8-17(9-11-18)22(29)23-16-6-4-3-5-7-21(28)26-30;25-20(10-6-1-2-7-11-21(26)24-27)16-17-12-14-19(15-13-17)23-22-18-8-4-3-5-9-18;18-13(17-21)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20;18-13(17-21)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h2-13,18-19H,14-17,20,30-31H2,1H3;9-16,30H,3-8,17H2,1-2H3,(H,26,29);3-12,14H,13,24H2,1-2H3;8-15,30H,3-7,16H2,1-2H3,(H,23,29)(H,26,28);3-5,8-9,12-15,27H,1-2,6-7,10-11,16H2,(H,24,26);2*1-8,15-16H,(H,19,20)/b33-32+;25-24+;26-25+;25-24+;23-22+;;
InChIKeyOMMAFLMGCCYVNN-IDQAUILASA-N
MW2650.09 g/mol
LogP31.56
Rot. Bonds62

About 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid

1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid (PubChem CID 158121846) has the molecular formula C145H158FN27O20S and a molecular weight of 2650.09 g/mol. Its IUPAC name is 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid
PubChem CID158121846
Molecular FormulaC145H158FN27O20S
Molecular Weight2650.09 g/mol
Exact Mass2648.19
IUPAC Name1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)Cc3ccc(F)cc3N)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(CC(=O)CCCCCCC(=O)NO)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2)cc1.O=C(CCCCCCC(=O)NO)Cc1ccc(/N=N/c2ccccc2)cc1.O=NC(=O)c1ccc(NNc2ccc(C(=O)O)cc2)cc1.O=NC(=O)c1cccc(NNc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C29H31N5O2S.C23H30N4O3.C22H21FN4O.C22H29N5O3.C21H25N3O3.2C14H11N3O4/c1-34(15-17-36-16-14-30)26-11-9-25(10-12-26)33-32-24-7-4-21(5-8-24)28(35)20-23-19-22(6-13-27(23)31)29-3-2-18-37-29;1-27(2)21-15-13-20(14-16-21)25-24-19-11-9-18(10-12-19)17-22(28)7-5-3-4-6-8-23(29)26-30;1-27(2)20-11-9-19(10-12-20)26-25-18-7-4-15(5-8-18)22(28)13-16-3-6-17(23)14-21(16)24;1-27(2)20-14-12-19(13-15-20)25-24-18-10-8-17(9-11-18)22(29)23-16-6-4-3-5-7-21(28)26-30;25-20(10-6-1-2-7-11-21(26)24-27)16-17-12-14-19(15-13-17)23-22-18-8-4-3-5-9-18;18-13(17-21)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20;18-13(17-21)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h2-13,18-19H,14-17,20,30-31H2,1H3;9-16,30H,3-8,17H2,1-2H3,(H,26,29);3-12,14H,13,24H2,1-2H3;8-15,30H,3-7,16H2,1-2H3,(H,23,29)(H,26,28);3-5,8-9,12-15,27H,1-2,6-7,10-11,16H2,(H,24,26);2*1-8,15-16H,(H,19,20)/b33-32+;25-24+;26-25+;25-24+;23-22+;;
InChIKeyOMMAFLMGCCYVNN-IDQAUILASA-N
XLogP31.56
TPSA684.94 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds62
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002650.09
LogP ≤ 531.56
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid?
The IUPAC name of 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid (CID 158121846) is 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid.
What is the SMILES notation for 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid?
The canonical SMILES for 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid is CN(C)c1ccc(/N=N/c2ccc(C(=O)Cc3ccc(F)cc3N)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1.CN(C)c1ccc(/N=N/c2ccc(CC(=O)CCCCCCC(=O)NO)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Cc3cc(-c4cccs4)ccc3N)cc2)cc1.O=C(CCCCCCC(=O)NO)Cc1ccc(/N=N/c2ccccc2)cc1.O=NC(=O)c1ccc(NNc2ccc(C(=O)O)cc2)cc1.O=NC(=O)c1cccc(NNc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid?
The InChIKey is OMMAFLMGCCYVNN-IDQAUILASA-N. The full InChI is InChI=1S/C29H31N5O2S.C23H30N4O3.C22H21FN4O.C22H29N5O3.C21H25N3O3.2C14H11N3O4/c1-34(15-17-36-16-14-30)26-11-9-25(10-12-26)33-32-24-7-4-21(5-8-24)28(35)20-23-19-22(6-13-27(23)31)29-3-2-18-37-29;1-27(2)21-15-13-20(14-16-21)25-24-19-11-9-18(10-12-19)17-22(28)7-5-3-4-6-8-23(29)26-30;1-27(2)20-11-9-19(10-12-20)26-25-18-7-4-15(5-8-18)22(28)13-16-3-6-17(23)14-21(16)24;1-27(2)20-14-12-19(13-15-20)25-24-18-10-8-17(9-11-18)22(29)23-16-6-4-3-5-7-21(28)26-30;25-20(10-6-1-2-7-11-21(26)24-27)16-17-12-14-19(15-13-17)23-22-18-8-4-3-5-9-18;18-13(17-21)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20;18-13(17-21)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h2-13,18-19H,14-17,20,30-31H2,1H3;9-16,30H,3-8,17H2,1-2H3,(H,26,29);3-12,14H,13,24H2,1-2H3;8-15,30H,3-7,16H2,1-2H3,(H,23,29)(H,26,28);3-5,8-9,12-15,27H,1-2,6-7,10-11,16H2,(H,24,26);2*1-8,15-16H,(H,19,20)/b33-32+;25-24+;26-25+;25-24+;23-22+;;.
What are the key properties of 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid?
1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid has a molecular weight of 2650.09 g/mol, XLogP of 31.56, 62 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]phenyl]-2-(2-amino-5-thiophen-2-ylphenyl)ethanone;2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone;4-[[4-(dimethylamino)phenyl]diazenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide;9-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-N-hydroxy-8-oxononanamide;N-hydroxy-8-oxo-9-(4-phenyldiazenylphenyl)nonanamide;3-[2-[3-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid;4-[2-[4-(oxocarbamoyl)phenyl]hydrazinyl]benzoic acid is sourced from PubChem (CID 158121846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).