2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide

C19H22BrNO3 — CID 9039211

IUPAC2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2cccc(C)c2)cc1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-23-17-10-14(16(20)12-18(17)24-5-2)11-19(22)21-15-8-6-7-13(3)9-15/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyOTDQTOINXQWAOK-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.74
Rot. Bonds7

About 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide

2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide (PubChem CID 9039211) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
PubChem CID9039211
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2cccc(C)c2)cc1OCC
InChIInChI=1S/C19H22BrNO3/c1-4-23-17-10-14(16(20)12-18(17)24-5-2)11-19(22)21-15-8-6-7-13(3)9-15/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyOTDQTOINXQWAOK-UHFFFAOYSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
CID 27667129
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760
2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 8970699
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16563035
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 16575362
2-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 3949031
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide (CID 9039211) is 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2cccc(C)c2)cc1OCC.
What is the InChIKey of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide?
The InChIKey is OTDQTOINXQWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-23-17-10-14(16(20)12-18(17)24-5-2)11-19(22)21-15-8-6-7-13(3)9-15/h6-10,12H,4-5,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide?
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide has a molecular weight of 392.29 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9039211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).