2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide

C24H24Cl2N2O3 — CID 3925618

IUPAC2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
SMILESCCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H24Cl2N2O3/c1-3-30-23-12-17(14-27-21-13-18(25)10-8-16(21)2)9-11-22(23)31-15-24(29)28-20-7-5-4-6-19(20)26/h4-13,27H,3,14-15H2,1-2H3,(H,28,29)
InChIKeyXILPDUVWNPVVKJ-UHFFFAOYSA-N
MW459.37 g/mol
LogP6.33
Rot. Bonds9

About 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide

2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 3925618) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID3925618
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC Name2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
SMILESCCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H24Cl2N2O3/c1-3-30-23-12-17(14-27-21-13-18(25)10-8-16(21)2)9-11-22(23)31-15-24(29)28-20-7-5-4-6-19(20)26/h4-13,27H,3,14-15H2,1-2H3,(H,28,29)
InChIKeyXILPDUVWNPVVKJ-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-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2983903
2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 4684440
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126274994
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380816
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide (CID 3925618) is 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide is CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is XILPDUVWNPVVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-3-30-23-12-17(14-27-21-13-18(25)10-8-16(21)2)9-11-22(23)31-15-24(29)28-20-7-5-4-6-19(20)26/h4-13,27H,3,14-15H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide?
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)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-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 3925618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).