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

C23H20Cl2N2O3 — CID 126219736

IUPAC2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-15-3-5-18(12-20(15)24)27-23(28)14-30-22-10-4-16(11-21(22)25)13-26-17-6-8-19(29-2)9-7-17/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyUGHNWZJGMVDELN-LGJNPRDNSA-N
MW443.33 g/mol
LogP6.08
Rot. Bonds7

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

2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126219736) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126219736
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-15-3-5-18(12-20(15)24)27-23(28)14-30-22-10-4-16(11-21(22)25)13-26-17-6-8-19(29-2)9-7-17/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyUGHNWZJGMVDELN-LGJNPRDNSA-N
XLogP6.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209044
2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126254534
2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126218997
2-[2-bromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268263
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
CID 126215966
N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126214851
N-(3-chloro-4-methylphenyl)-2-[1-[(4-ethylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126217069
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110842433
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277766
N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126214545
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126219736) is 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1.
What is the InChIKey of 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is UGHNWZJGMVDELN-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-15-3-5-18(12-20(15)24)27-23(28)14-30-22-10-4-16(11-21(22)25)13-26-17-6-8-19(29-2)9-7-17/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+.
What are the key properties of 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 443.33 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126219736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).