2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone

C14H11Cl2NO — CID 742856

IUPAC2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO/c15-11-6-4-10(5-7-11)14(18)9-17-13-3-1-2-12(16)8-13/h1-8,17H,9H2
InChIKeyLUZPCLURXBMOQH-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.29
Rot. Bonds4

About 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone

2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone (PubChem CID 742856) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone
PubChem CID742856
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO/c15-11-6-4-10(5-7-11)14(18)9-17-13-3-1-2-12(16)8-13/h1-8,17H,9H2
InChIKeyLUZPCLURXBMOQH-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone (CID 742856) is 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone is O=C(CNc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone?
The InChIKey is LUZPCLURXBMOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-11-6-4-10(5-7-11)14(18)9-17-13-3-1-2-12(16)8-13/h1-8,17H,9H2.
What are the key properties of 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone?
2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone has a molecular weight of 280.15 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 742856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).