2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide

C23H20Cl2N2O3 — CID 110339607

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-16-5-4-6-17(11-16)14-29-21-8-3-2-7-18(21)13-26-27-23(28)15-30-22-10-9-19(24)12-20(22)25/h2-13H,14-15H2,1H3,(H,27,28)/b26-13+
InChIKeyRJMUDBGGIFKXSF-LGJNPRDNSA-N
MW443.33 g/mol
LogP5.41
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 110339607) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID110339607
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H20Cl2N2O3/c1-16-5-4-6-17(11-16)14-29-21-8-3-2-7-18(21)13-26-27-23(28)15-30-22-10-9-19(24)12-20(22)25/h2-13H,14-15H2,1H3,(H,27,28)/b26-13+
InChIKeyRJMUDBGGIFKXSF-LGJNPRDNSA-N
XLogP5.41
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.41
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'}

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Related Compounds

2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(2,4-dichlorophenoxy)-N-[(E)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126001556
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1249215
N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5497349
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173978
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944538
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944528
2-(2,4-dichlorophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6153860
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 94838608

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide (CID 110339607) is 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide is Cc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is RJMUDBGGIFKXSF-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-16-5-4-6-17(11-16)14-29-21-8-3-2-7-18(21)13-26-27-23(28)15-30-22-10-9-19(24)12-20(22)25/h2-13H,14-15H2,1H3,(H,27,28)/b26-13+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 443.33 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 110339607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).