N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

C59H49Cl7N10O10 — CID 135986062

IUPACN-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(/N=N/C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N/C2=N\c2cc(NC(=O)C(C)Oc3ccc(O)c(C)c3)ccc2Cl)cc1OC.Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC3=NN(c4c(Cl)cc(Cl)cc4Cl)C(=O)C3)c2)c(C)c1
InChIInChI=1S/C33H28Cl4N6O6.C26H21Cl3N4O4/c1-16-11-21(7-9-26(16)44)49-17(2)32(45)38-19-5-8-22(35)25(14-19)39-31-29(41-40-20-6-10-27(47-3)28(15-20)48-4)33(46)43(42-31)30-23(36)12-18(34)13-24(30)37;1-14-6-7-21(15(2)8-14)37-13-23(34)30-18-5-3-4-16(9-18)26(36)31-22-12-24(35)33(32-22)25-19(28)10-17(27)11-20(25)29/h5-15,17,29,44H,1-4H3,(H,38,45)(H,39,42);3-11H,12-13H2,1-2H3,(H,30,34)(H,31,32,36)/b41-40+;
InChIKeyZUVMQRYGBJUGPK-MSWFXQITSA-N
MW1306.27 g/mol
LogP14.23
Rot. Bonds16

About N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide

N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (PubChem CID 135986062) has the molecular formula C59H49Cl7N10O10 and a molecular weight of 1306.27 g/mol. Its IUPAC name is N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
PubChem CID135986062
Molecular FormulaC59H49Cl7N10O10
Molecular Weight1306.27 g/mol
Exact Mass1302.15
IUPAC NameN-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(/N=N/C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N/C2=N\c2cc(NC(=O)C(C)Oc3ccc(O)c(C)c3)ccc2Cl)cc1OC.Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC3=NN(c4c(Cl)cc(Cl)cc4Cl)C(=O)C3)c2)c(C)c1
InChIInChI=1S/C33H28Cl4N6O6.C26H21Cl3N4O4/c1-16-11-21(7-9-26(16)44)49-17(2)32(45)38-19-5-8-22(35)25(14-19)39-31-29(41-40-20-6-10-27(47-3)28(15-20)48-4)33(46)43(42-31)30-23(36)12-18(34)13-24(30)37;1-14-6-7-21(15(2)8-14)37-13-23(34)30-18-5-3-4-16(9-18)26(36)31-22-12-24(35)33(32-22)25-19(28)10-17(27)11-20(25)29/h5-15,17,29,44H,1-4H3,(H,38,45)(H,39,42);3-11H,12-13H2,1-2H3,(H,30,34)(H,31,32,36)/b41-40+;
InChIKeyZUVMQRYGBJUGPK-MSWFXQITSA-N
XLogP14.23
TPSA246.54 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001306.27
LogP ≤ 514.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[3-[[4-[(4-ethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]acetamide
CID 135665971
1-chloro-4-methylbenzene;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;ethane;2-[N-ethyl-3-methyl-4-(methylideneamino)anilino]ethanol
CID 54240096
N-[4-chloro-3-[[4-[5-chloro-2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(2,4-dimethylphenoxy)butanamide
CID 135623851
3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[(4R)-4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
CID 99649711
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]tetradecanamide
CID 135967670
ethyl N-[6-(diethylamino)-2-methyl-3-pyridinyl]-N-[3-[[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoyl]amino]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]carbamate
CID 21059157
3-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxopropyl]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
CID 59819265
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
1-acetyl-N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]benzotriazole-5-carboxamide;N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2H-benzotriazole-5-carboxamide;[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl] thiohypochlorite
CID 135960438
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[4-[ethyl(methyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[4-[(4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide;3-[3-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid
CID 56617079
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
butyl 4-methyl-4-[[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]carbamoyl]-2-(2-phenylpropyl)hexanoate;N-[4-chloro-3-[[4-[(4-methylphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(3-methylphenoxy)butanamide;N-[3-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propylsulfinamoyloxy]-4-(2-ethoxyethoxy)phenyl]-2-(2,4-dimethylphenoxy)octanamide
CID 136650099

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide (CID 135986062) is N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is COc1ccc(/N=N/C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N/C2=N\c2cc(NC(=O)C(C)Oc3ccc(O)c(C)c3)ccc2Cl)cc1OC.Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC3=NN(c4c(Cl)cc(Cl)cc4Cl)C(=O)C3)c2)c(C)c1.
What is the InChIKey of N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
The InChIKey is ZUVMQRYGBJUGPK-MSWFXQITSA-N. The full InChI is InChI=1S/C33H28Cl4N6O6.C26H21Cl3N4O4/c1-16-11-21(7-9-26(16)44)49-17(2)32(45)38-19-5-8-22(35)25(14-19)39-31-29(41-40-20-6-10-27(47-3)28(15-20)48-4)33(46)43(42-31)30-23(36)12-18(34)13-24(30)37;1-14-6-7-21(15(2)8-14)37-13-23(34)30-18-5-3-4-16(9-18)26(36)31-22-12-24(35)33(32-22)25-19(28)10-17(27)11-20(25)29/h5-15,17,29,44H,1-4H3,(H,38,45)(H,39,42);3-11H,12-13H2,1-2H3,(H,30,34)(H,31,32,36)/b41-40+;.
What are the key properties of N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide?
N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide has a molecular weight of 1306.27 g/mol, XLogP of 14.23, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(4-hydroxy-3-methylphenoxy)propanamide;3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 135986062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).