2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C20H23ClFN3O — CID 112769455

IUPAC2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClFN3O/c1-15(16-3-2-4-17(21)13-16)23-14-20(26)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h2-8,13,15,23H,9-12,14H2,1H3
InChIKeyLNHCZTBJPQNTDY-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.48
Rot. Bonds5

About 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 112769455) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID112769455
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClFN3O/c1-15(16-3-2-4-17(21)13-16)23-14-20(26)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h2-8,13,15,23H,9-12,14H2,1H3
InChIKeyLNHCZTBJPQNTDY-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 25265632
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503
2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9307678
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 94333135
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 94333134
(2S)-2-(3-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 1290925

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 112769455) is 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is CC(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is LNHCZTBJPQNTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c1-15(16-3-2-4-17(21)13-16)23-14-20(26)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h2-8,13,15,23H,9-12,14H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 375.88 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 112769455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).