4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

C23H20Cl2N2O4 — CID 51061972

IUPAC4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1OC
InChIInChI=1S/C23H20Cl2N2O4/c1-29-21-5-3-4-16(22(21)30-2)13-26-27-23(28)15-7-10-19(11-8-15)31-14-17-6-9-18(24)12-20(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyMKZRMZQZKVRWON-LGJNPRDNSA-N
MW459.33 g/mol
LogP5.35
Rot. Bonds8

About 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 51061972) has the molecular formula C23H20Cl2N2O4 and a molecular weight of 459.33 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID51061972
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1OC
InChIInChI=1S/C23H20Cl2N2O4/c1-29-21-5-3-4-16(22(21)30-2)13-26-27-23(28)15-7-10-19(11-8-15)31-14-17-6-9-18(24)12-20(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyMKZRMZQZKVRWON-LGJNPRDNSA-N
XLogP5.35
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.33
LogP ≤ 55.35
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

4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 51061983
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124541270
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 51061534
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
N-[(E)-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246357
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 98103649
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 137105852
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 51061742

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (CID 51061972) is 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1OC.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is MKZRMZQZKVRWON-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-29-21-5-3-4-16(22(21)30-2)13-26-27-23(28)15-7-10-19(11-8-15)31-14-17-6-9-18(24)12-20(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 459.33 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 51061972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).