2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

C24H23Cl3N2O3 — CID 66541717

IUPAC2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H23Cl3N2O3/c1-3-31-22-10-16(13-28-21-9-6-17(25)11-20(21)27)19(26)12-23(22)32-14-24(30)29-18-7-4-15(2)5-8-18/h4-12,28H,3,13-14H2,1-2H3,(H,29,30)
InChIKeyCWJDRPNCMUHWBD-UHFFFAOYSA-N
MW493.82 g/mol
LogP6.98
Rot. Bonds9

About 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66541717) has the molecular formula C24H23Cl3N2O3 and a molecular weight of 493.82 g/mol. Its IUPAC name is 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66541717
Molecular FormulaC24H23Cl3N2O3
Molecular Weight493.82 g/mol
Exact Mass492.08
IUPAC Name2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H23Cl3N2O3/c1-3-31-22-10-16(13-28-21-9-6-17(25)11-20(21)27)19(26)12-23(22)32-14-24(30)29-18-7-4-15(2)5-8-18/h4-12,28H,3,13-14H2,1-2H3,(H,29,30)
InChIKeyCWJDRPNCMUHWBD-UHFFFAOYSA-N
XLogP6.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.82
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66541523
2-[5-chloro-2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66531982
2-[5-chloro-2-ethoxy-4-[[(4-methylphenyl)methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66532030
2-[5-chloro-2-ethoxy-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66531995
2-[5-chloro-4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66531956
2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468
2-[5-chloro-2-ethoxy-4-[(2-hydroxypropylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66531999
2-[4-[(2,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539227
2-[5-chloro-4-[[2-(diethylamino)ethylamino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66538127
2-[4-[(tert-butylamino)methyl]-5-chloro-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66530594
2-[4-[(3-butoxypropylamino)methyl]-5-chloro-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66531947
2-[5-chloro-4-[(4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66542345

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 66541717) is 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is CCOc1cc(CNc2ccc(Cl)cc2Cl)c(Cl)cc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is CWJDRPNCMUHWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N2O3/c1-3-31-22-10-16(13-28-21-9-6-17(25)11-20(21)27)19(26)12-23(22)32-14-24(30)29-18-7-4-15(2)5-8-18/h4-12,28H,3,13-14H2,1-2H3,(H,29,30).
What are the key properties of 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 493.82 g/mol, XLogP of 6.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66541717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).