2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide

C21H16Cl4N2O2 — CID 3905264

IUPAC2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESO=C(COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C21H16Cl4N2O2/c22-15-7-6-14(10-17(15)24)26-11-13-5-8-20(18(25)9-13)29-12-21(28)27-19-4-2-1-3-16(19)23/h1-10,26H,11-12H2,(H,27,28)
InChIKeyGVTSZOUVOYFYJR-UHFFFAOYSA-N
MW470.18 g/mol
LogP6.93
Rot. Bonds7

About 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide

2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 3905264) has the molecular formula C21H16Cl4N2O2 and a molecular weight of 470.18 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID3905264
Molecular FormulaC21H16Cl4N2O2
Molecular Weight470.18 g/mol
Exact Mass468.00
IUPAC Name2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESO=C(COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C21H16Cl4N2O2/c22-15-7-6-14(10-17(15)24)26-11-13-5-8-20(18(25)9-13)29-12-21(28)27-19-4-2-1-3-16(19)23/h1-10,26H,11-12H2,(H,27,28)
InChIKeyGVTSZOUVOYFYJR-UHFFFAOYSA-N
XLogP6.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.18
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 4684440
2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 5023749
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-[2-bromo-4-[(4-methoxyanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126381021
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3999969
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide (CID 3905264) is 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide is O=C(COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is GVTSZOUVOYFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl4N2O2/c22-15-7-6-14(10-17(15)24)26-11-13-5-8-20(18(25)9-13)29-12-21(28)27-19-4-2-1-3-16(19)23/h1-10,26H,11-12H2,(H,27,28).
What are the key properties of 2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide has a molecular weight of 470.18 g/mol, XLogP of 6.93, 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-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 3905264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).