N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide

C21H16Cl2N2O2 — CID 51061576

IUPACN-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-18-9-6-17(20(23)12-18)14-27-19-10-7-16(8-11-19)21(26)25-24-13-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)/b24-13+
InChIKeyWBCTYNZOLKMKJZ-ZMOGYAJESA-N
MW399.28 g/mol
LogP5.34
Rot. Bonds6

About N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide

N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 51061576) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID51061576
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC NameN-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-18-9-6-17(20(23)12-18)14-27-19-10-7-16(8-11-19)21(26)25-24-13-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)/b24-13+
InChIKeyWBCTYNZOLKMKJZ-ZMOGYAJESA-N
XLogP5.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 51061822
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552
3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847989
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137105843
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 137105852
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 51061534
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 96881597
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide (CID 51061576) is N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide is O=C(N/N=C/c1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is WBCTYNZOLKMKJZ-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-18-9-6-17(20(23)12-18)14-27-19-10-7-16(8-11-19)21(26)25-24-13-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,26)/b24-13+.
What are the key properties of N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide?
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 399.28 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 51061576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).