2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C18H18Cl2FN3O — CID 109002268

IUPAC2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18Cl2FN3O/c19-16-6-3-14(11-17(16)20)22-12-18(25)24-9-7-23(8-10-24)15-4-1-13(21)2-5-15/h1-6,11,22H,7-10,12H2
InChIKeyVDEVAXLWAYHECF-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.89
Rot. Bonds4

About 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 109002268) has the molecular formula C18H18Cl2FN3O and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID109002268
Molecular FormulaC18H18Cl2FN3O
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC Name2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18Cl2FN3O/c19-16-6-3-14(11-17(16)20)22-12-18(25)24-9-7-23(8-10-24)15-4-1-13(21)2-5-15/h1-6,11,22H,7-10,12H2
InChIKeyVDEVAXLWAYHECF-UHFFFAOYSA-N
XLogP3.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256
2-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002242
2-(3,5-difluoro-4-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56502976
2,5-dichloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006558
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61470206
2-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004043
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 109002268) is 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(CNc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is VDEVAXLWAYHECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O/c19-16-6-3-14(11-17(16)20)22-12-18(25)24-9-7-23(8-10-24)15-4-1-13(21)2-5-15/h1-6,11,22H,7-10,12H2.
What are the key properties of 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 382.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 109002268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).