N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide

C16H14Cl2N2O2 — CID 42069766

IUPACN-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-10(21)11-4-2-5-12(8-11)20-15(22)9-19-14-7-3-6-13(17)16(14)18/h2-8,19H,9H2,1H3,(H,20,22)
InChIKeyVFLALWUEBKREQQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.25
Rot. Bonds5

About N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide

N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide (PubChem CID 42069766) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
PubChem CID42069766
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-10(21)11-4-2-5-12(8-11)20-15(22)9-19-14-7-3-6-13(17)16(14)18/h2-8,19H,9H2,1H3,(H,20,22)
InChIKeyVFLALWUEBKREQQ-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093
N'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714
N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
CID 110923541
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 34067227
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide (CID 42069766) is N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide is CC(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide?
The InChIKey is VFLALWUEBKREQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-10(21)11-4-2-5-12(8-11)20-15(22)9-19-14-7-3-6-13(17)16(14)18/h2-8,19H,9H2,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide?
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide has a molecular weight of 337.21 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide is sourced from PubChem (CID 42069766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).