2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C20H25BrN2O4 — CID 86964320

IUPAC2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(C)c1ccc(Br)c(C)c1
InChIInChI=1S/C20H25BrN2O4/c1-13-8-15(6-7-16(13)21)23(2)12-20(24)22-11-14-9-18(26-4)19(27-5)10-17(14)25-3/h6-10H,11-12H2,1-5H3,(H,22,24)
InChIKeyTVUZLUZSLJLHJS-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.54
Rot. Bonds8

About 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 86964320) has the molecular formula C20H25BrN2O4 and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID86964320
Molecular FormulaC20H25BrN2O4
Molecular Weight437.33 g/mol
Exact Mass436.10
IUPAC Name2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(C)c1ccc(Br)c(C)c1
InChIInChI=1S/C20H25BrN2O4/c1-13-8-15(6-7-16(13)21)23(2)12-20(24)22-11-14-9-18(26-4)19(27-5)10-17(14)25-3/h6-10H,11-12H2,1-5H3,(H,22,24)
InChIKeyTVUZLUZSLJLHJS-UHFFFAOYSA-N
XLogP3.54
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]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-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 26582779
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34600439
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-(N-benzyl-3-methylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18145118
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46446575
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 86964320) is 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN(C)c1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is TVUZLUZSLJLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O4/c1-13-8-15(6-7-16(13)21)23(2)12-20(24)22-11-14-9-18(26-4)19(27-5)10-17(14)25-3/h6-10H,11-12H2,1-5H3,(H,22,24).
What are the key properties of 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 437.33 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 86964320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).