2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide

C17H19BrN2O3 — CID 9099482

IUPAC2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1OC
InChIInChI=1S/C17H19BrN2O3/c1-11-8-12(4-6-14(11)18)19-10-17(21)20-13-5-7-15(22-2)16(9-13)23-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeySIGPBLKSNAAJOW-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide

2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 9099482) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID9099482
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1OC
InChIInChI=1S/C17H19BrN2O3/c1-11-8-12(4-6-14(11)18)19-10-17(21)20-13-5-7-15(22-2)16(9-13)23-3/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeySIGPBLKSNAAJOW-UHFFFAOYSA-N
XLogP3.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)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-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 9099482) is 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1OC.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is SIGPBLKSNAAJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-11-8-12(4-6-14(11)18)19-10-17(21)20-13-5-7-15(22-2)16(9-13)23-3/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 379.25 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9099482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).