1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone

C19H20ClFN2O2 — CID 24763201

IUPAC1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-12-16(21)6-7-18(17)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyZRCPJFACEZIVJT-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 24763201) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID24763201
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-17-12-16(21)6-7-18(17)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyZRCPJFACEZIVJT-UHFFFAOYSA-N
XLogP3.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzyloxy)-1-(4-(2,4-dichlorophenyl)piperazin-1-yl)ethanone
CID 24762950
2-(Benzyloxy)-1-(4-(2-chlorophenyl)piperazin-1-yl)ethanone
CID 24762952
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
2-(Benzyloxy)-1-(4-(4-chlorophenyl)piperazin-1-yl)ethanone
CID 52942601
VU0364289
CID 46865097
2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 3-chlorobenzoate
CID 978516
N-(3-chlorophenyl)-N-ethyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3236055
4-{2-[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]-2-oxoethoxy}-1-methyl-1,2-dihydroquinolin-2-one
CID 16008344
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4786922
2-(Benzyloxy)-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone
CID 24762868
2-(Benzyloxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 24762951
2-(Benzyloxy)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethanone
CID 52946222

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone (CID 24763201) is 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCN(c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is ZRCPJFACEZIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-17-12-16(21)6-7-18(17)22-8-10-23(11-9-22)19(24)14-25-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 362.83 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 24763201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).