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

C21H25BrN2O4 — CID 24673330

IUPACN-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2cccc(NC(C)=O)c2C)cc1OCC
InChIInChI=1S/C21H25BrN2O4/c1-5-27-19-10-15(16(22)12-20(19)28-6-2)11-21(26)24-18-9-7-8-17(13(18)3)23-14(4)25/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZTKFCQUIBIJABW-UHFFFAOYSA-N
MW449.35 g/mol
LogP4.69
Rot. Bonds8

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

N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (PubChem CID 24673330) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
PubChem CID24673330
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2cccc(NC(C)=O)c2C)cc1OCC
InChIInChI=1S/C21H25BrN2O4/c1-5-27-19-10-15(16(22)12-20(19)28-6-2)11-21(26)24-18-9-7-8-17(13(18)3)23-14(4)25/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZTKFCQUIBIJABW-UHFFFAOYSA-N
XLogP4.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760
2-(2-bromo-4,5-diethoxyphenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55907363
4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
CID 27667129
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628
N-(3-acetamido-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 134019141
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16563035
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
N-(3-acetamido-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 39975983
2-(2-bromo-4,5-diethoxyphenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 16575362

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (CID 24673330) is N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2cccc(NC(C)=O)c2C)cc1OCC.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The InChIKey is ZTKFCQUIBIJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-5-27-19-10-15(16(22)12-20(19)28-6-2)11-21(26)24-18-9-7-8-17(13(18)3)23-14(4)25/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide has a molecular weight of 449.35 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 24673330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).