[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate

C24H19BrCl2N2O6 — CID 3661355

IUPAC[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCOc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H19BrCl2N2O6/c1-32-22-10-16(25)4-8-21(22)33-13-23(30)29-28-12-15-2-6-18(7-3-15)35-24(31)14-34-20-9-5-17(26)11-19(20)27/h2-12H,13-14H2,1H3,(H,29,30)
InChIKeyAVPNOCHAQZCWOT-UHFFFAOYSA-N
MW582.23 g/mol
LogP5.28
Rot. Bonds10

About [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate

[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 3661355) has the molecular formula C24H19BrCl2N2O6 and a molecular weight of 582.23 g/mol. Its IUPAC name is [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID3661355
Molecular FormulaC24H19BrCl2N2O6
Molecular Weight582.23 g/mol
Exact Mass579.98
IUPAC Name[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCOc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H19BrCl2N2O6/c1-32-22-10-16(25)4-8-21(22)33-13-23(30)29-28-12-15-2-6-18(7-3-15)35-24(31)14-34-20-9-5-17(26)11-19(20)27/h2-12H,13-14H2,1H3,(H,29,30)
InChIKeyAVPNOCHAQZCWOT-UHFFFAOYSA-N
XLogP5.28
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.23
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate with MolForge

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Related Compounds

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-(4-bromo-2-chlorophenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4631725
propan-2-yl 2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 40988895
2-(4-bromo-2-chlorophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135589008
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295
2-(4-bromo-2-methylphenoxy)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 3423084
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
CID 1138563
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate (CID 3661355) is [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate is COc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is AVPNOCHAQZCWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrCl2N2O6/c1-32-22-10-16(25)4-8-21(22)33-13-23(30)29-28-12-15-2-6-18(7-3-15)35-24(31)14-34-20-9-5-17(26)11-19(20)27/h2-12H,13-14H2,1H3,(H,29,30).
What are the key properties of [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate?
[4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 582.23 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(4-bromo-2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 3661355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).