2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

C24H24BrClN2O2 — CID 126380816

IUPAC2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Br)c(C)c1
InChIInChI=1S/C24H24BrClN2O2/c1-15-4-8-21(17(3)10-15)28-24(29)14-30-23-9-6-18(11-20(23)25)13-27-22-12-19(26)7-5-16(22)2/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyWELRMYYYWWIZLW-UHFFFAOYSA-N
MW487.83 g/mol
LogP6.66
Rot. Bonds7

About 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 126380816) has the molecular formula C24H24BrClN2O2 and a molecular weight of 487.83 g/mol. Its IUPAC name is 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
PubChem CID126380816
Molecular FormulaC24H24BrClN2O2
Molecular Weight487.83 g/mol
Exact Mass486.07
IUPAC Name2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Br)c(C)c1
InChIInChI=1S/C24H24BrClN2O2/c1-15-4-8-21(17(3)10-15)28-24(29)14-30-23-9-6-18(11-20(23)25)13-27-22-12-19(26)7-5-16(22)2/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyWELRMYYYWWIZLW-UHFFFAOYSA-N
XLogP6.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126253222
2-(2-bromo-4-propylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202395
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-[2-bromo-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380803
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618
2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126262894
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 3341523
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 126380816) is 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Br)c(C)c1.
What is the InChIKey of 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is WELRMYYYWWIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O2/c1-15-4-8-21(17(3)10-15)28-24(29)14-30-23-9-6-18(11-20(23)25)13-27-22-12-19(26)7-5-16(22)2/h4-12,27H,13-14H2,1-3H3,(H,28,29).
What are the key properties of 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 487.83 g/mol, XLogP of 6.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126380816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).