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

C24H24Cl2N2O3 — CID 3920331

IUPAC2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O3/c1-3-30-23-11-17(14-27-19-6-4-5-18(25)12-19)8-10-22(23)31-15-24(29)28-20-9-7-16(2)21(26)13-20/h4-13,27H,3,14-15H2,1-2H3,(H,28,29)
InChIKeyUSPRIJPBFIHDGM-UHFFFAOYSA-N
MW459.37 g/mol
LogP6.33
Rot. Bonds9

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

2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 3920331) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID3920331
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC Name2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O3/c1-3-30-23-11-17(14-27-19-6-4-5-18(25)12-19)8-10-22(23)31-15-24(29)28-20-9-7-16(2)21(26)13-20/h4-13,27H,3,14-15H2,1-2H3,(H,28,29)
InChIKeyUSPRIJPBFIHDGM-UHFFFAOYSA-N
XLogP6.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
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
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126262894
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656
2-[2-bromo-4-[(4-chloroanilino)methyl]-6-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126259843
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105
2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468
2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126383812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 3920331) is 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide is CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is USPRIJPBFIHDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-3-30-23-11-17(14-27-19-6-4-5-18(25)12-19)8-10-22(23)31-15-24(29)28-20-9-7-16(2)21(26)13-20/h4-13,27H,3,14-15H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 459.37 g/mol, XLogP of 6.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 3920331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).