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

C24H24BrClN2O3 — CID 66543803

IUPAC2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Br)c(CNc2ccc(C)c(Cl)c2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H24BrClN2O3/c1-15-4-7-17(8-5-15)28-23(29)14-31-24-19(20(25)10-11-22(24)30-3)13-27-18-9-6-16(2)21(26)12-18/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyKDRZVNLYWIGNLF-UHFFFAOYSA-N
MW503.82 g/mol
LogP6.36
Rot. Bonds8

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

2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66543803) has the molecular formula C24H24BrClN2O3 and a molecular weight of 503.82 g/mol. Its IUPAC name is 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66543803
Molecular FormulaC24H24BrClN2O3
Molecular Weight503.82 g/mol
Exact Mass502.07
IUPAC Name2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Br)c(CNc2ccc(C)c(Cl)c2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H24BrClN2O3/c1-15-4-7-17(8-5-15)28-23(29)14-31-24-19(20(25)10-11-22(24)30-3)13-27-18-9-6-16(2)21(26)12-18/h4-12,27H,13-14H2,1-3H3,(H,28,29)
InChIKeyKDRZVNLYWIGNLF-UHFFFAOYSA-N
XLogP6.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.82
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-bromo-2-[(3,5-dichloro-4-hydroxyanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543478
2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-3-bromo-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543477
5-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-chlorobenzoic acid
CID 66543949
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268346
2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539048
2-chloro-4-[[3-methoxy-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66539102
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-(3-bromo-2-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 66529290
2-[5-bromo-4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543096
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 66543602
2-[5-bromo-4-[(3,5-dichloro-4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66542946

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 66543803) is 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is COc1ccc(Br)c(CNc2ccc(C)c(Cl)c2)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is KDRZVNLYWIGNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O3/c1-15-4-7-17(8-5-15)28-23(29)14-31-24-19(20(25)10-11-22(24)30-3)13-27-18-9-6-16(2)21(26)12-18/h4-12,27H,13-14H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 503.82 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66543803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).