2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

C24H23BrCl2N2O3 — CID 66541523

IUPAC2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cc(Cl)ccc2Cl)c(Br)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H23BrCl2N2O3/c1-3-31-22-10-16(13-28-21-11-17(26)6-9-20(21)27)19(25)12-23(22)32-14-24(30)29-18-7-4-15(2)5-8-18/h4-12,28H,3,13-14H2,1-2H3,(H,29,30)
InChIKeySDZPVWLCSBCWEB-UHFFFAOYSA-N
MW538.27 g/mol
LogP7.09
Rot. Bonds9

About 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66541523) has the molecular formula C24H23BrCl2N2O3 and a molecular weight of 538.27 g/mol. Its IUPAC name is 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66541523
Molecular FormulaC24H23BrCl2N2O3
Molecular Weight538.27 g/mol
Exact Mass536.03
IUPAC Name2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2cc(Cl)ccc2Cl)c(Br)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H23BrCl2N2O3/c1-3-31-22-10-16(13-28-21-11-17(26)6-9-20(21)27)19(25)12-23(22)32-14-24(30)29-18-7-4-15(2)5-8-18/h4-12,28H,3,13-14H2,1-2H3,(H,29,30)
InChIKeySDZPVWLCSBCWEB-UHFFFAOYSA-N
XLogP7.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.27
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468
5-[[2-bromo-5-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]-2-chlorobenzoic acid
CID 66541311
2-[5-chloro-4-[(2,4-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66541717
2-[5-bromo-4-[(3,5-dichloro-4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66542946
4-chloro-3-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66539562
2-[5-bromo-4-[[2-(diethylamino)ethylamino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66538401
2-[5-chloro-2-ethoxy-4-[[(4-methylphenyl)methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66532030
2-[5-bromo-4-(ethylaminomethyl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535177
2-[5-bromo-2-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66541135
2-[5-chloro-2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66531982
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[5-bromo-4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543096

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 66541523) is 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is CCOc1cc(CNc2cc(Cl)ccc2Cl)c(Br)cc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is SDZPVWLCSBCWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrCl2N2O3/c1-3-31-22-10-16(13-28-21-11-17(26)6-9-20(21)27)19(25)12-23(22)32-14-24(30)29-18-7-4-15(2)5-8-18/h4-12,28H,3,13-14H2,1-2H3,(H,29,30).
What are the key properties of 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 538.27 g/mol, XLogP of 7.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66541523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).