2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone

C13H17Cl2N3O — CID 28515284

IUPAC2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-17-2-4-18(5-3-17)13(19)9-16-12-7-10(14)6-11(15)8-12/h6-8,16H,2-5,9H2,1H3
InChIKeyQJUNEAUWVIEYQR-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.18
Rot. Bonds3

About 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone

2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 28515284) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID28515284
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-17-2-4-18(5-3-17)13(19)9-16-12-7-10(14)6-11(15)8-12/h6-8,16H,2-5,9H2,1H3
InChIKeyQJUNEAUWVIEYQR-UHFFFAOYSA-N
XLogP2.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone (CID 28515284) is 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QJUNEAUWVIEYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-17-2-4-18(5-3-17)13(19)9-16-12-7-10(14)6-11(15)8-12/h6-8,16H,2-5,9H2,1H3.
What are the key properties of 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 302.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 28515284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).