2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

C25H25ClN2O4 — CID 126224022

IUPAC2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H25ClN2O4/c1-4-31-23-14-18(15-27-19-8-10-21(30-3)11-9-19)13-22(26)25(23)32-16-24(29)28-20-7-5-6-17(2)12-20/h5-15H,4,16H2,1-3H3,(H,28,29)/b27-15+
InChIKeyXBDCQLMKJKVODD-JFLMPSFJSA-N
MW452.94 g/mol
LogP5.82
Rot. Bonds9

About 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126224022) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126224022
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC Name2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H25ClN2O4/c1-4-31-23-14-18(15-27-19-8-10-21(30-3)11-9-19)13-22(26)25(23)32-16-24(29)28-20-7-5-6-17(2)12-20/h5-15H,4,16H2,1-3H3,(H,28,29)/b27-15+
InChIKeyXBDCQLMKJKVODD-JFLMPSFJSA-N
XLogP5.82
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525
2-[2-bromo-6-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222442
(E)-3-[3-chloro-5-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 126374811
2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
4-bromo-N-[(E)-[3-chloro-5-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126260622
2-[4-chloro-2-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126214472
N-[(E)-[3-chloro-5-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126382214
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126224022) is 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is XBDCQLMKJKVODD-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-4-31-23-14-18(15-27-19-8-10-21(30-3)11-9-19)13-22(26)25(23)32-16-24(29)28-20-7-5-6-17(2)12-20/h5-15H,4,16H2,1-3H3,(H,28,29)/b27-15+.
What are the key properties of 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 452.94 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126224022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).