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

C18H20ClF2N3O — CID 120756678

IUPACN-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19F2N3O.ClH/c19-14-4-6-16(7-5-14)22-18(24)12-23-9-8-21-11-17(23)13-2-1-3-15(20)10-13;/h1-7,10,17,21H,8-9,11-12H2,(H,22,24);1H
InChIKeyKKPCENOINDAMIV-UHFFFAOYSA-N
MW367.83 g/mol
LogP2.97
Rot. Bonds4

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

N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120756678) has the molecular formula C18H20ClF2N3O and a molecular weight of 367.83 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120756678
Molecular FormulaC18H20ClF2N3O
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC NameN-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccc(F)cc1
InChIInChI=1S/C18H19F2N3O.ClH/c19-14-4-6-16(7-5-14)22-18(24)12-23-9-8-21-11-17(23)13-2-1-3-15(20)10-13;/h1-7,10,17,21H,8-9,11-12H2,(H,22,24);1H
InChIKeyKKPCENOINDAMIV-UHFFFAOYSA-N
XLogP2.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 120756225
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120756678) is N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is KKPCENOINDAMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O.ClH/c19-14-4-6-16(7-5-14)22-18(24)12-23-9-8-21-11-17(23)13-2-1-3-15(20)10-13;/h1-7,10,17,21H,8-9,11-12H2,(H,22,24);1H.
What are the key properties of N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120756678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).