2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

C18H21BrN2O4 — CID 26508863

IUPAC2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2ccc(Br)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C18H21BrN2O4/c1-11-7-12(5-6-14(11)19)20-10-17(22)21-13-8-15(23-2)18(25-4)16(9-13)24-3/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyXITIBGDQZBVNRU-UHFFFAOYSA-N
MW409.28 g/mol
LogP3.83
Rot. Bonds7

About 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 26508863) has the molecular formula C18H21BrN2O4 and a molecular weight of 409.28 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID26508863
Molecular FormulaC18H21BrN2O4
Molecular Weight409.28 g/mol
Exact Mass408.07
IUPAC Name2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2ccc(Br)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C18H21BrN2O4/c1-11-7-12(5-6-14(11)19)20-10-17(22)21-13-8-15(23-2)18(25-4)16(9-13)24-3/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyXITIBGDQZBVNRU-UHFFFAOYSA-N
XLogP3.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2334921
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 26508863) is 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNc2ccc(Br)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is XITIBGDQZBVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4/c1-11-7-12(5-6-14(11)19)20-10-17(22)21-13-8-15(23-2)18(25-4)16(9-13)24-3/h5-9,20H,10H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 409.28 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 26508863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).