2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

C23H19Cl3N2O2 — CID 126218997

IUPAC2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C23H19Cl3N2O2/c1-14-3-6-18(10-20(14)25)27-12-16-9-17(24)5-8-22(16)30-13-23(29)28-19-7-4-15(2)21(26)11-19/h3-12H,13H2,1-2H3,(H,28,29)/b27-12+
InChIKeyRGASMJQBYPOKRS-KKMKTNMSSA-N
MW461.78 g/mol
LogP7.03
Rot. Bonds6

About 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126218997) has the molecular formula C23H19Cl3N2O2 and a molecular weight of 461.78 g/mol. Its IUPAC name is 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126218997
Molecular FormulaC23H19Cl3N2O2
Molecular Weight461.78 g/mol
Exact Mass460.05
IUPAC Name2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C23H19Cl3N2O2/c1-14-3-6-18(10-20(14)25)27-12-16-9-17(24)5-8-22(16)30-13-23(29)28-19-7-4-15(2)21(26)11-19/h3-12H,13H2,1-2H3,(H,28,29)/b27-12+
InChIKeyRGASMJQBYPOKRS-KKMKTNMSSA-N
XLogP7.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 57.03
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-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222975
2-[2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220488
N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126214851
2-[4-chloro-2-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126232497
2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126214472
N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209044
2-[4-chloro-2-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 137073763
1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126214908
2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126219736
2-[4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126216116
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide
CID 126215869
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 833856

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126218997) is 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is RGASMJQBYPOKRS-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H19Cl3N2O2/c1-14-3-6-18(10-20(14)25)27-12-16-9-17(24)5-8-22(16)30-13-23(29)28-19-7-4-15(2)21(26)11-19/h3-12H,13H2,1-2H3,(H,28,29)/b27-12+.
What are the key properties of 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 461.78 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126218997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).