2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide

C18H14Cl4N4O4 — CID 5222965

IUPAC2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=CC=NNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl4N4O4/c19-11-1-3-13(21)15(7-11)29-9-17(27)25-23-5-6-24-26-18(28)10-30-16-8-12(20)2-4-14(16)22/h1-8H,9-10H2,(H,25,27)(H,26,28)
InChIKeyVBYXTPLQNBXMQB-UHFFFAOYSA-N
MW492.15 g/mol
LogP3.96
Rot. Bonds9

About 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide

2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide (PubChem CID 5222965) has the molecular formula C18H14Cl4N4O4 and a molecular weight of 492.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
PubChem CID5222965
Molecular FormulaC18H14Cl4N4O4
Molecular Weight492.15 g/mol
Exact Mass489.98
IUPAC Name2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=CC=NNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl4N4O4/c19-11-1-3-13(21)15(7-11)29-9-17(27)25-23-5-6-24-26-18(28)10-30-16-8-12(20)2-4-14(16)22/h1-8H,9-10H2,(H,25,27)(H,26,28)
InChIKeyVBYXTPLQNBXMQB-UHFFFAOYSA-N
XLogP3.96
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.15
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 5153372
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966
2-(2,5-dichlorophenoxy)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 19189624
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 3312533
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide
CID 3315608
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 135629464
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
2-(2,5-dichlorophenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135610802

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide (CID 5222965) is 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide is O=C(COc1cc(Cl)ccc1Cl)NN=CC=NNC(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide?
The InChIKey is VBYXTPLQNBXMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4N4O4/c19-11-1-3-13(21)15(7-11)29-9-17(27)25-23-5-6-24-26-18(28)10-30-16-8-12(20)2-4-14(16)22/h1-8H,9-10H2,(H,25,27)(H,26,28).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide?
2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide has a molecular weight of 492.15 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide is sourced from PubChem (CID 5222965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).