ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate

C22H24Cl2N4O4 — CID 177479961

IUPACethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(-c2ccc(N/N=C(\C)C(=O)OCC)c(Cl)c2)cc1Cl
InChIInChI=1S/C22H24Cl2N4O4/c1-5-31-21(29)13(3)25-27-19-9-7-15(11-17(19)23)16-8-10-20(18(24)12-16)28-26-14(4)22(30)32-6-2/h7-12,27-28H,5-6H2,1-4H3/b25-13+,26-14+
InChIKeyQVZABTZNKHKTNZ-BKHCZYBLSA-N
MW479.36 g/mol
LogP5.36
Rot. Bonds9

About ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate

ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate (PubChem CID 177479961) has the molecular formula C22H24Cl2N4O4 and a molecular weight of 479.36 g/mol. Its IUPAC name is ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
PubChem CID177479961
Molecular FormulaC22H24Cl2N4O4
Molecular Weight479.36 g/mol
Exact Mass478.12
IUPAC Nameethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(-c2ccc(N/N=C(\C)C(=O)OCC)c(Cl)c2)cc1Cl
InChIInChI=1S/C22H24Cl2N4O4/c1-5-31-21(29)13(3)25-27-19-9-7-15(11-17(19)23)16-8-10-20(18(24)12-16)28-26-14(4)22(30)32-6-2/h7-12,27-28H,5-6H2,1-4H3/b25-13+,26-14+
InChIKeyQVZABTZNKHKTNZ-BKHCZYBLSA-N
XLogP5.36
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.36
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate with MolForge

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Related Compounds

ethyl (2E)-2-[(4-bromo-2-ethylphenyl)hydrazinylidene]propanoate
CID 75480535
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
CID 24873970
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl (2E)-2-[(2-bromo-4-methoxyphenyl)hydrazinylidene]propanoate
CID 118341164
ethyl (2E)-2-[[2-(2,2-dimethylpropyl)-4-fluorophenyl]hydrazinylidene]propanoate
CID 146363539
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
CID 18735268
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
CID 134106161
ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 6413876
ethyl (2Z)-2-cyano-2-[(2,4-dichlorophenyl)hydrazinylidene]acetate
CID 6199683
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate
CID 140687018

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate (CID 177479961) is ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate is CCOC(=O)/C(C)=N/Nc1ccc(-c2ccc(N/N=C(\C)C(=O)OCC)c(Cl)c2)cc1Cl.
What is the InChIKey of ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate?
The InChIKey is QVZABTZNKHKTNZ-BKHCZYBLSA-N. The full InChI is InChI=1S/C22H24Cl2N4O4/c1-5-31-21(29)13(3)25-27-19-9-7-15(11-17(19)23)16-8-10-20(18(24)12-16)28-26-14(4)22(30)32-6-2/h7-12,27-28H,5-6H2,1-4H3/b25-13+,26-14+.
What are the key properties of ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate?
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate has a molecular weight of 479.36 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate is sourced from PubChem (CID 177479961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).