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

C17H16ClFN2O — CID 739897

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)19/h1-7,12H,8-11H2
InChIKeyDTDKTUPYLRGSMG-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.44
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 739897) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID739897
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16ClFN2O/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)19/h1-7,12H,8-11H2
InChIKeyDTDKTUPYLRGSMG-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lorcainide
CID 42884
Flamprop
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Lorcainide Hydrochloride
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Flamprop-M
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(4-Chloro-3-nitrophenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CID 1334619
2-Chloro-N-methyl-N-phenylbenzamide
CID 587357
Flamprop-methyl
CID 40521
Butropipazone
CID 16889
1-Benzoyl-4-phenylpiperazine
CID 258240
N-(3-chlorophenyl)-3-fluorobenzamide
CID 532008
(2-Chloro-5-nitrophenyl)[4-(4-fluorophenyl)-1-piperazinyl]methanone
CID 1104888
[4-(3-Chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone (CID 739897) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is DTDKTUPYLRGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)19/h1-7,12H,8-11H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 318.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 739897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).