2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide

C25H26Cl2N2O3 — CID 126273143

IUPAC2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C25H26Cl2N2O3/c1-4-31-24-11-18(14-28-19-8-5-16(2)21(26)12-19)7-10-23(24)32-15-25(30)29-20-9-6-17(3)22(27)13-20/h5-13,28H,4,14-15H2,1-3H3,(H,29,30)
InChIKeyZKWGYVGDMSPKGU-UHFFFAOYSA-N
MW473.40 g/mol
LogP6.64
Rot. Bonds9

About 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide

2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126273143) has the molecular formula C25H26Cl2N2O3 and a molecular weight of 473.40 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126273143
Molecular FormulaC25H26Cl2N2O3
Molecular Weight473.40 g/mol
Exact Mass472.13
IUPAC Name2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C25H26Cl2N2O3/c1-4-31-24-11-18(14-28-19-8-5-16(2)21(26)12-19)7-10-23(24)32-15-25(30)29-20-9-6-17(3)22(27)13-20/h5-13,28H,4,14-15H2,1-3H3,(H,29,30)
InChIKeyZKWGYVGDMSPKGU-UHFFFAOYSA-N
XLogP6.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105
N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy]acetamide
CID 5034754
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126262894
2-[2-bromo-4-[(4-chloroanilino)methyl]-6-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126259843
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
N-(3-chloro-4-methylphenyl)-2-[2-ethoxy-4-[(4-ethoxyanilino)methyl]-6-iodophenoxy]acetamide
CID 126277621
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[4-[(4-bromoanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 4308481

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126273143) is 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide is CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is ZKWGYVGDMSPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O3/c1-4-31-24-11-18(14-28-19-8-5-16(2)21(26)12-19)7-10-23(24)32-15-25(30)29-20-9-6-17(3)22(27)13-20/h5-13,28H,4,14-15H2,1-3H3,(H,29,30).
What are the key properties of 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 473.40 g/mol, XLogP of 6.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126273143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).