2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C18H19ClFN3O — CID 970465

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O/c19-14-1-7-17(8-2-14)23-11-9-22(10-12-23)13-18(24)21-16-5-3-15(20)4-6-16/h1-8H,9-13H2,(H,21,24)
InChIKeyIOZITKIFFSVVBX-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.24
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 970465) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID970465
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O/c19-14-1-7-17(8-2-14)23-11-9-22(10-12-23)13-18(24)21-16-5-3-15(20)4-6-16/h1-8H,9-13H2,(H,21,24)
InChIKeyIOZITKIFFSVVBX-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 2670221
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918
N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
CID 2917131
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
Clodacaine
CID 58616
N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 719590
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 970465) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is IOZITKIFFSVVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-14-1-7-17(8-2-14)23-11-9-22(10-12-23)13-18(24)21-16-5-3-15(20)4-6-16/h1-8H,9-13H2,(H,21,24).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 347.82 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 970465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).