4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide

C17H16Cl2N2O2 — CID 55802304

IUPAC4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-20-17(23)11-4-7-14(8-5-11)21-16(22)9-12-3-6-13(18)10-15(12)19/h3-8,10H,2,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyHZAVPXLFNGUWAK-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.92
Rot. Bonds5

About 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide

4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide (PubChem CID 55802304) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
PubChem CID55802304
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-20-17(23)11-4-7-14(8-5-11)21-16(22)9-12-3-6-13(18)10-15(12)19/h3-8,10H,2,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyHZAVPXLFNGUWAK-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
N-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 47038490
4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111197443
dimethyl 5-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,3-dicarboxylate
CID 4810799
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide (CID 55802304) is 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is HZAVPXLFNGUWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-20-17(23)11-4-7-14(8-5-11)21-16(22)9-12-3-6-13(18)10-15(12)19/h3-8,10H,2,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide?
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 351.23 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 55802304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).