4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide

C24H18Cl2N2O3 — CID 51061534

IUPAC4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
SMILESC#CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-2-13-30-23-6-4-3-5-18(23)15-27-28-24(29)17-8-11-21(12-9-17)31-16-19-7-10-20(25)14-22(19)26/h1,3-12,14-15H,13,16H2,(H,28,29)/b27-15+
InChIKeyGOKLESATHONQNL-JFLMPSFJSA-N
MW453.33 g/mol
LogP5.35
Rot. Bonds8

About 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide

4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide (PubChem CID 51061534) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
PubChem CID51061534
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
SMILESC#CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-2-13-30-23-6-4-3-5-18(23)15-27-28-24(29)17-8-11-21(12-9-17)31-16-19-7-10-20(25)14-22(19)26/h1,3-12,14-15H,13,16H2,(H,28,29)/b27-15+
InChIKeyGOKLESATHONQNL-JFLMPSFJSA-N
XLogP5.35
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124541270
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 51061972
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 124541111
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
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 137105852
4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 133169686
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 51061983
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide (CID 51061534) is 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide is C#CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide?
The InChIKey is GOKLESATHONQNL-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-2-13-30-23-6-4-3-5-18(23)15-27-28-24(29)17-8-11-21(12-9-17)31-16-19-7-10-20(25)14-22(19)26/h1,3-12,14-15H,13,16H2,(H,28,29)/b27-15+.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide?
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide has a molecular weight of 453.33 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 51061534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).