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

C23H20Cl2N2O4 — CID 51061815

IUPAC4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC
InChIInChI=1S/C23H20Cl2N2O4/c1-29-21-10-3-15(11-22(21)30-2)13-26-27-23(28)16-5-8-19(9-6-16)31-14-17-4-7-18(24)12-20(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyYQKMVOSWAMQSBA-LGJNPRDNSA-N
MW459.33 g/mol
LogP5.35
Rot. Bonds8

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

4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 51061815) 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)-(3,4-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID51061815
Molecular FormulaC23H20Cl2N2O4
Molecular Weight459.33 g/mol
Exact Mass458.08
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC
InChIInChI=1S/C23H20Cl2N2O4/c1-29-21-10-3-15(11-22(21)30-2)13-26-27-23(28)16-5-8-19(9-6-16)31-14-17-4-7-18(24)12-20(17)25/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyYQKMVOSWAMQSBA-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-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
CID 51062009
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 51061742
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 51061983
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
3-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 94851424
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552
[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 6894192
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
4-chloro-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 19169715
2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 51061822
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 51061972

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide (CID 51061815) is 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is YQKMVOSWAMQSBA-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4/c1-29-21-10-3-15(11-22(21)30-2)13-26-27-23(28)16-5-8-19(9-6-16)31-14-17-4-7-18(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)-(3,4-dimethoxyphenyl)methylideneamino]benzamide?
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-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)-(3,4-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 51061815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).