2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

C25H26Cl2N2O3 — CID 126274994

IUPAC2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H26Cl2N2O3/c1-4-31-23-12-18(14-28-22-13-19(26)9-8-17(22)3)11-21(27)25(23)32-15-24(30)29-20-7-5-6-16(2)10-20/h5-13,28H,4,14-15H2,1-3H3,(H,29,30)
InChIKeyBBHJWYZICNMNLJ-UHFFFAOYSA-N
MW473.40 g/mol
LogP6.64
Rot. Bonds9

About 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126274994) has the molecular formula C25H26Cl2N2O3 and a molecular weight of 473.40 g/mol. Its IUPAC name is 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126274994
Molecular FormulaC25H26Cl2N2O3
Molecular Weight473.40 g/mol
Exact Mass472.13
IUPAC Name2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C25H26Cl2N2O3/c1-4-31-23-12-18(14-28-22-13-19(26)9-8-17(22)3)11-21(27)25(23)32-15-24(30)29-20-7-5-6-16(2)10-20/h5-13,28H,4,14-15H2,1-3H3,(H,29,30)
InChIKeyBBHJWYZICNMNLJ-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-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126258088
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126274306
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[2-chloro-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539439
5-chloro-N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118360
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
2-[2-bromo-4-[(4-chloroanilino)methyl]-6-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126259843
2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126259568
2-[2-chloro-4-[(3,4-dichloroanilino)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539336
2-[2-chloro-4-[(3,5-dichloro-4-hydroxyanilino)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539432

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide (CID 126274994) is 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide is CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is BBHJWYZICNMNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O3/c1-4-31-23-12-18(14-28-22-13-19(26)9-8-17(22)3)11-21(27)25(23)32-15-24(30)29-20-7-5-6-16(2)10-20/h5-13,28H,4,14-15H2,1-3H3,(H,29,30).
What are the key properties of 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-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-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126274994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).