N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide

C16H15Cl2N3O2 — CID 54816111

IUPACN-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-10(22)20-11-5-7-12(8-6-11)21-15(23)9-19-14-4-2-3-13(17)16(14)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFCZCKXWTRJLJAA-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.00
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide

N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide (PubChem CID 54816111) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
PubChem CID54816111
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC NameN-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O2/c1-10(22)20-11-5-7-12(8-6-11)21-15(23)9-19-14-4-2-3-13(17)16(14)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFCZCKXWTRJLJAA-UHFFFAOYSA-N
XLogP4.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide (CID 54816111) is N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide?
The InChIKey is FCZCKXWTRJLJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-10(22)20-11-5-7-12(8-6-11)21-15(23)9-19-14-4-2-3-13(17)16(14)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide?
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide has a molecular weight of 352.22 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide is sourced from PubChem (CID 54816111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).