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

C23H21ClN2O2 — CID 126376137

IUPAC2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N/c3ccccc3Cl)c2)cc1C
InChIInChI=1S/C23H21ClN2O2/c1-16-10-11-19(12-17(16)2)26-23(27)15-28-20-7-5-6-18(13-20)14-25-22-9-4-3-8-21(22)24/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyWUOXXWPDEFWPJE-AFUMVMLFSA-N
MW392.89 g/mol
LogP5.72
Rot. Bonds6

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

2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 126376137) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID126376137
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(/C=N/c3ccccc3Cl)c2)cc1C
InChIInChI=1S/C23H21ClN2O2/c1-16-10-11-19(12-17(16)2)26-23(27)15-28-20-7-5-6-18(13-20)14-25-22-9-4-3-8-21(22)24/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyWUOXXWPDEFWPJE-AFUMVMLFSA-N
XLogP5.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.72
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-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126384058
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161944
N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306
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
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-bromo-N-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126022248
N-(3,4-dimethylphenyl)-2-[3-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenoxy]acetamide
CID 126017935
N-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126381101
N'-[(Z)-[3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126171272
2-[3-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]acetic acid
CID 126224697

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 126376137) is 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccccc3Cl)c2)cc1C.
What is the InChIKey of 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is WUOXXWPDEFWPJE-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-16-10-11-19(12-17(16)2)26-23(27)15-28-20-7-5-6-18(13-20)14-25-22-9-4-3-8-21(22)24/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+.
What are the key properties of 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 392.89 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)iminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126376137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).