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

C22H19Cl3N2O2 — CID 4684440

IUPAC2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESCc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl3N2O2/c1-14-16(23)6-4-8-19(14)26-12-15-9-10-21(18(25)11-15)29-13-22(28)27-20-7-3-2-5-17(20)24/h2-11,26H,12-13H2,1H3,(H,27,28)
InChIKeyIBEMGJLLSSQUKP-UHFFFAOYSA-N
MW449.77 g/mol
LogP6.58
Rot. Bonds7

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

2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 4684440) has the molecular formula C22H19Cl3N2O2 and a molecular weight of 449.77 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID4684440
Molecular FormulaC22H19Cl3N2O2
Molecular Weight449.77 g/mol
Exact Mass448.05
IUPAC Name2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESCc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl3N2O2/c1-14-16(23)6-4-8-19(14)26-12-15-9-10-21(18(25)11-15)29-13-22(28)27-20-7-3-2-5-17(20)24/h2-11,26H,12-13H2,1H3,(H,27,28)
InChIKeyIBEMGJLLSSQUKP-UHFFFAOYSA-N
XLogP6.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-[(3,4-dichloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 3905264
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 3341523
3-chloro-N-[(3-chloro-4-propoxyphenyl)methyl]-2-methylaniline
CID 126144223
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-[2-bromo-4-[(3-chloroanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 5023749
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123855
2-[2-bromo-4-[(4-methoxyanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126381021

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide (CID 4684440) is 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide is Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is IBEMGJLLSSQUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O2/c1-14-16(23)6-4-8-19(14)26-12-15-9-10-21(18(25)11-15)29-13-22(28)27-20-7-3-2-5-17(20)24/h2-11,26H,12-13H2,1H3,(H,27,28).
What are the key properties of 2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide?
2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide has a molecular weight of 449.77 g/mol, XLogP of 6.58, 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-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 4684440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).