4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen

C97H113F2N23O7S — CID 161361590

IUPAC4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)Nc3ccc(F)cc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3ccc(F)cc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3ccccc3N)cc2)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H30N6O2S.C24H27FN6O2.C24H28N6O2.C21H20FN5O.4H2/c1-34(15-17-36-16-14-29)24-11-9-23(10-12-24)33-32-22-7-4-20(5-8-22)28(35)31-26-19-21(6-13-25(26)30)27-3-2-18-37-27;1-31(13-15-33-14-12-26)21-9-7-20(8-10-21)30-29-19-5-2-17(3-6-19)24(32)28-23-11-4-18(25)16-22(23)27;1-30(15-17-32-16-14-25)21-12-10-20(11-13-21)29-28-19-8-6-18(7-9-19)24(31)27-23-5-3-2-4-22(23)26;1-27(2)18-10-8-17(9-11-18)26-25-16-6-3-14(4-7-16)21(28)24-20-12-5-15(22)13-19(20)23;;;;/h2-13,18-19H,14-17,29-30H2,1H3,(H,31,35);2-11,16H,12-15,26-27H2,1H3,(H,28,32);2-13H,14-17,25-26H2,1H3,(H,27,31);3-13H,23H2,1-2H3,(H,24,28);4*1H/b33-32+;30-29+;29-28+;26-25+;;;;
InChIKeyVPGFJQUAAQXYLS-FPUGAOEGSA-N
MW1783.19 g/mol
LogP21.04
Rot. Bonds36

About 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen

4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen (PubChem CID 161361590) has the molecular formula C97H113F2N23O7S and a molecular weight of 1783.19 g/mol. Its IUPAC name is 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen
PubChem CID161361590
Molecular FormulaC97H113F2N23O7S
Molecular Weight1783.19 g/mol
Exact Mass1781.89
IUPAC Name4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)Nc3ccc(F)cc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3ccc(F)cc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3ccccc3N)cc2)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H30N6O2S.C24H27FN6O2.C24H28N6O2.C21H20FN5O.4H2/c1-34(15-17-36-16-14-29)24-11-9-23(10-12-24)33-32-22-7-4-20(5-8-22)28(35)31-26-19-21(6-13-25(26)30)27-3-2-18-37-27;1-31(13-15-33-14-12-26)21-9-7-20(8-10-21)30-29-19-5-2-17(3-6-19)24(32)28-23-11-4-18(25)16-22(23)27;1-30(15-17-32-16-14-25)21-12-10-20(11-13-21)29-28-19-8-6-18(7-9-19)24(31)27-23-5-3-2-4-22(23)26;1-27(2)18-10-8-17(9-11-18)26-25-16-6-3-14(4-7-16)21(28)24-20-12-5-15(22)13-19(20)23;;;;/h2-13,18-19H,14-17,29-30H2,1H3,(H,31,35);2-11,16H,12-15,26-27H2,1H3,(H,28,32);2-13H,14-17,25-26H2,1H3,(H,27,31);3-13H,23H2,1-2H3,(H,24,28);4*1H/b33-32+;30-29+;29-28+;26-25+;;;;
InChIKeyVPGFJQUAAQXYLS-FPUGAOEGSA-N
XLogP21.04
TPSA438.07 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.19
LogP ≤ 521.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

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 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen with MolForge

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Related Compounds

tert-butyl N-[2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 118701005
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzamide
CID 24947475
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
4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 24947476
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947291
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[[bis(dimethylamino)-hydroxy-λ5-phosphanylidene]amino]methyl]benzamide
CID 91383957
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 69101574
propyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25156236
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
CID 69091409
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen?
The IUPAC name of 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen (CID 161361590) is 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen.
What is the SMILES notation for 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen?
The canonical SMILES for 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen is CN(C)c1ccc(/N=N/c2ccc(C(=O)Nc3ccc(F)cc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3ccc(F)cc3N)cc2)cc1.CN(CCOCCN)c1ccc(/N=N/c2ccc(C(=O)Nc3ccccc3N)cc2)cc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen?
The InChIKey is VPGFJQUAAQXYLS-FPUGAOEGSA-N. The full InChI is InChI=1S/C28H30N6O2S.C24H27FN6O2.C24H28N6O2.C21H20FN5O.4H2/c1-34(15-17-36-16-14-29)24-11-9-23(10-12-24)33-32-22-7-4-20(5-8-22)28(35)31-26-19-21(6-13-25(26)30)27-3-2-18-37-27;1-31(13-15-33-14-12-26)21-9-7-20(8-10-21)30-29-19-5-2-17(3-6-19)24(32)28-23-11-4-18(25)16-22(23)27;1-30(15-17-32-16-14-25)21-12-10-20(11-13-21)29-28-19-8-6-18(7-9-19)24(31)27-23-5-3-2-4-22(23)26;1-27(2)18-10-8-17(9-11-18)26-25-16-6-3-14(4-7-16)21(28)24-20-12-5-15(22)13-19(20)23;;;;/h2-13,18-19H,14-17,29-30H2,1H3,(H,31,35);2-11,16H,12-15,26-27H2,1H3,(H,28,32);2-13H,14-17,25-26H2,1H3,(H,27,31);3-13H,23H2,1-2H3,(H,24,28);4*1H/b33-32+;30-29+;29-28+;26-25+;;;;.
What are the key properties of 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen?
4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen has a molecular weight of 1783.19 g/mol, XLogP of 21.04, 36 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-4-fluorophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-aminophenyl)benzamide;4-[[4-[2-(2-aminoethoxy)ethyl-methylamino]phenyl]diazenyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide;N-(2-amino-4-fluorophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide;molecular hydrogen is sourced from PubChem (CID 161361590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).