N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

C20H24ClF2N3O2 — CID 120756694

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H23F2N3O2.ClH/c21-16-4-6-18(7-5-16)27-11-9-24-20(26)14-25-10-8-23-13-19(25)15-2-1-3-17(22)12-15;/h1-7,12,19,23H,8-11,13-14H2,(H,24,26);1H
InChIKeyXXHXWYFVDSCPNC-UHFFFAOYSA-N
MW411.88 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120756694) has the molecular formula C20H24ClF2N3O2 and a molecular weight of 411.88 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120756694
Molecular FormulaC20H24ClF2N3O2
Molecular Weight411.88 g/mol
Exact Mass411.15
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H23F2N3O2.ClH/c21-16-4-6-18(7-5-16)27-11-9-24-20(26)14-25-10-8-23-13-19(25)15-2-1-3-17(22)12-15;/h1-7,12,19,23H,8-11,13-14H2,(H,24,26);1H
InChIKeyXXHXWYFVDSCPNC-UHFFFAOYSA-N
XLogP2.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.88
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754797
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120757042
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120756974
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757002
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120756694) is N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccc(F)c1)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is XXHXWYFVDSCPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2.ClH/c21-16-4-6-18(7-5-16)27-11-9-24-20(26)14-25-10-8-23-13-19(25)15-2-1-3-17(22)12-15;/h1-7,12,19,23H,8-11,13-14H2,(H,24,26);1H.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 411.88 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120756694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).