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

C24H24Cl2N2O3 — CID 126258088

IUPAC2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H24Cl2N2O3/c1-15-5-4-6-19(9-15)28-23(29)14-31-24-20(26)10-17(11-22(24)30-3)13-27-21-12-18(25)8-7-16(21)2/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyAJTIKHGDOYMCRI-UHFFFAOYSA-N
MW459.37 g/mol
LogP6.25
Rot. Bonds8

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

2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126258088) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126258088
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC Name2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H24Cl2N2O3/c1-15-5-4-6-19(9-15)28-23(29)14-31-24-20(26)10-17(11-22(24)30-3)13-27-21-12-18(25)8-7-16(21)2/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyAJTIKHGDOYMCRI-UHFFFAOYSA-N
XLogP6.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126274994
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126274306
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268346
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
2-[2-iodo-6-methoxy-4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126257833
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
5-chloro-N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-methylaniline
CID 2197765
5-chloro-N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126116588
2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126261528

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide (CID 126258088) is 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide is COc1cc(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-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is AJTIKHGDOYMCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-15-5-4-6-19(9-15)28-23(29)14-31-24-20(26)10-17(11-22(24)30-3)13-27-21-12-18(25)8-7-16(21)2/h4-12,27H,13-14H2,1-3H3,(H,28,29).
What are the key properties of 2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide?
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 459.37 g/mol, XLogP of 6.25, 8 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-methoxyphenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126258088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).