2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide

C17H15Cl3N2O2 — CID 113180171

IUPAC2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-10-6-7-12(8-14(10)19)21-16(24)9-22(11(2)23)15-5-3-4-13(18)17(15)20/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyJXBOESDQHZRVNP-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.95
Rot. Bonds4

About 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide

2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 113180171) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID113180171
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC Name2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-10-6-7-12(8-14(10)19)21-16(24)9-22(11(2)23)15-5-3-4-13(18)17(15)20/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyJXBOESDQHZRVNP-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113171770
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
2-(N-acetyl-2,3-dichloroanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113180150
2-(N-acetyl-2,3-dichloroanilino)-N-(4-chlorophenyl)acetamide
CID 113180167
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824
N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
CID 113171239
2-(N-acetyl-2,3-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 113180204
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113168799
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide (CID 113180171) is 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is JXBOESDQHZRVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-10-6-7-12(8-14(10)19)21-16(24)9-22(11(2)23)15-5-3-4-13(18)17(15)20/h3-8H,9H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 385.68 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 113180171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).