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

C24H24Cl2N2O3 — CID 126273033

IUPAC2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O3/c1-15-7-9-18(12-20(15)26)28-24(29)14-31-22-10-8-17(11-23(22)30-3)13-27-21-6-4-5-19(25)16(21)2/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyYTWQUZSATHTUAN-UHFFFAOYSA-N
MW459.37 g/mol
LogP6.25
Rot. Bonds8

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

2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 126273033) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID126273033
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC Name2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C24H24Cl2N2O3/c1-15-7-9-18(12-20(15)26)28-24(29)14-31-22-10-8-17(11-23(22)30-3)13-27-21-6-4-5-19(25)16(21)2/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyYTWQUZSATHTUAN-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

Analyze 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide with MolForge

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Related Compounds

2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 3341523
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525764
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 4684440
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2637238
2-[4-[(3-chloroanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 3920331
2-[4-[(2-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126274200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 126273033) is 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide is COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is YTWQUZSATHTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-15-7-9-18(12-20(15)26)28-24(29)14-31-22-10-8-17(11-23(22)30-3)13-27-21-6-4-5-19(25)16(21)2/h4-12,27H,13-14H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-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-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 126273033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).