2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide

C23H19Cl3N2O4 — CID 3922392

IUPAC2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
SMILESCOc1cc(C=NOCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl3N2O4/c1-30-21-11-16(10-20(26)23(21)31-13-15-2-4-17(24)5-3-15)12-27-32-14-22(29)28-19-8-6-18(25)7-9-19/h2-12H,13-14H2,1H3,(H,28,29)
InChIKeyZGCTUTPCLHRNST-UHFFFAOYSA-N
MW493.77 g/mol
LogP6.22
Rot. Bonds9

About 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide

2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide (PubChem CID 3922392) has the molecular formula C23H19Cl3N2O4 and a molecular weight of 493.77 g/mol. Its IUPAC name is 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
PubChem CID3922392
Molecular FormulaC23H19Cl3N2O4
Molecular Weight493.77 g/mol
Exact Mass492.04
IUPAC Name2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
SMILESCOc1cc(C=NOCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl3N2O4/c1-30-21-11-16(10-20(26)23(21)31-13-15-2-4-17(24)5-3-15)12-27-32-14-22(29)28-19-8-6-18(25)7-9-19/h2-12H,13-14H2,1H3,(H,28,29)
InChIKeyZGCTUTPCLHRNST-UHFFFAOYSA-N
XLogP6.22
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.77
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126374789
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
methyl 4-[[2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7702814
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
2-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381474
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 7702644
N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
CID 124552082
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]oxamide
CID 126261129
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
CID 7706874

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide (CID 3922392) is 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide is COc1cc(C=NOCC(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The InChIKey is ZGCTUTPCLHRNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N2O4/c1-30-21-11-16(10-20(26)23(21)31-13-15-2-4-17(24)5-3-15)12-27-32-14-22(29)28-19-8-6-18(25)7-9-19/h2-12H,13-14H2,1H3,(H,28,29).
What are the key properties of 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide has a molecular weight of 493.77 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 3922392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).