2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone

C18H19Cl2N3O — CID 109002179

IUPAC2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CNc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-7-4-8-16(18(15)20)21-13-17(24)23-11-9-22(10-12-23)14-5-2-1-3-6-14/h1-8,21H,9-13H2
InChIKeyNTLVROVIHYSYHQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.75
Rot. Bonds4

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

2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 109002179) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID109002179
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CNc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-15-7-4-8-16(18(15)20)21-13-17(24)23-11-9-22(10-12-23)14-5-2-1-3-6-14/h1-8,21H,9-13H2
InChIKeyNTLVROVIHYSYHQ-UHFFFAOYSA-N
XLogP3.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2486451
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
3-(2,3-dichloroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029351
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
N-(3-chloro-2-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949428
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone
CID 109004365
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 3595637
2-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 989122
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone (CID 109002179) is 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CNc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is NTLVROVIHYSYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-15-7-4-8-16(18(15)20)21-13-17(24)23-11-9-22(10-12-23)14-5-2-1-3-6-14/h1-8,21H,9-13H2.
What are the key properties of 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 364.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109002179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).