2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide

C23H20Cl2N2O2 — CID 126384058

IUPAC2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(Cl)c(Cl)c3)c2)cc1C
InChIInChI=1S/C23H20Cl2N2O2/c1-15-6-7-19(10-16(15)2)27-23(28)14-29-20-5-3-4-17(11-20)13-26-18-8-9-21(24)22(25)12-18/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyYCHQVOIWDKLEQE-LGJNPRDNSA-N
MW427.33 g/mol
LogP6.38
Rot. Bonds6

About 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 126384058) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID126384058
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(Cl)c(Cl)c3)c2)cc1C
InChIInChI=1S/C23H20Cl2N2O2/c1-15-6-7-19(10-16(15)2)27-23(28)14-29-20-5-3-4-17(11-20)13-26-18-8-9-21(24)22(25)12-18/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyYCHQVOIWDKLEQE-LGJNPRDNSA-N
XLogP6.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126376137
2-[3-[[4-(dimethylamino)phenyl]iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126384717
3,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126023505
N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 124549283
2,4-dichloro-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126026470
N'-[(Z)-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126160299
2-[3-[(3,4-dimethylphenyl)iminomethyl]phenoxy]acetic acid
CID 126205614
N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161944
N-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126381101
2-[4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222360

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 126384058) is 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(Cl)c(Cl)c3)c2)cc1C.
What is the InChIKey of 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YCHQVOIWDKLEQE-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-15-6-7-19(10-16(15)2)27-23(28)14-29-20-5-3-4-17(11-20)13-26-18-8-9-21(24)22(25)12-18/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+.
What are the key properties of 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 427.33 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126384058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).