2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide

C22H17Cl3N2O2 — CID 21379840

IUPAC2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H17Cl3N2O2/c23-18-8-5-15(6-9-18)11-22(28)27-26-13-16-3-1-2-4-21(16)29-14-17-7-10-19(24)12-20(17)25/h1-10,12-13H,11,14H2,(H,27,28)/b26-13+
InChIKeyAQDYYSHWYHWBOG-LGJNPRDNSA-N
MW447.75 g/mol
LogP5.92
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 21379840) has the molecular formula C22H17Cl3N2O2 and a molecular weight of 447.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID21379840
Molecular FormulaC22H17Cl3N2O2
Molecular Weight447.75 g/mol
Exact Mass446.04
IUPAC Name2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H17Cl3N2O2/c23-18-8-5-15(6-9-18)11-22(28)27-26-13-16-3-1-2-4-21(16)29-14-17-7-10-19(24)12-20(17)25/h1-10,12-13H,11,14H2,(H,27,28)/b26-13+
InChIKeyAQDYYSHWYHWBOG-LGJNPRDNSA-N
XLogP5.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 55.92
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

2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944528
N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 5025171
2-(4-bromoanilino)-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126349752
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 124541111
2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3483297
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126064432
2-(2,4-dichloroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6112463

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide (CID 21379840) is 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide is O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is AQDYYSHWYHWBOG-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H17Cl3N2O2/c23-18-8-5-15(6-9-18)11-22(28)27-26-13-16-3-1-2-4-21(16)29-14-17-7-10-19(24)12-20(17)25/h1-10,12-13H,11,14H2,(H,27,28)/b26-13+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 447.75 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 21379840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).