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

C23H21Cl3N2O2 — CID 126267103

IUPAC2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1Cl
InChIInChI=1S/C23H21Cl3N2O2/c1-14-3-6-17(10-19(14)24)27-12-16-5-8-22(21(26)9-16)30-13-23(29)28-18-7-4-15(2)20(25)11-18/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyYROWUEOUWUNCOM-UHFFFAOYSA-N
MW463.79 g/mol
LogP6.89
Rot. Bonds7

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

2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126267103) has the molecular formula C23H21Cl3N2O2 and a molecular weight of 463.79 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126267103
Molecular FormulaC23H21Cl3N2O2
Molecular Weight463.79 g/mol
Exact Mass462.07
IUPAC Name2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1Cl
InChIInChI=1S/C23H21Cl3N2O2/c1-14-3-6-17(10-19(14)24)27-12-16-5-8-22(21(26)9-16)30-13-23(29)28-18-7-4-15(2)20(25)11-18/h3-11,27H,12-13H2,1-2H3,(H,28,29)
InChIKeyYROWUEOUWUNCOM-UHFFFAOYSA-N
XLogP6.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.79
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126262894
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-[4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126272760
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[2,6-dichloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274683
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525764
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 3905264

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126267103) is 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is YROWUEOUWUNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O2/c1-14-3-6-17(10-19(14)24)27-12-16-5-8-22(21(26)9-16)30-13-23(29)28-18-7-4-15(2)20(25)11-18/h3-11,27H,12-13H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 463.79 g/mol, XLogP of 6.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126267103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).