N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

C19H22ClF2N3O2 — CID 120753312

IUPACN-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C19H21F2N3O2.ClH/c1-26-18-5-3-2-4-16(18)17-11-22-6-7-24(17)12-19(25)23-15-9-13(20)8-14(21)10-15;/h2-5,8-10,17,22H,6-7,11-12H2,1H3,(H,23,25);1H
InChIKeyCSPDYRMAQQWHTL-UHFFFAOYSA-N
MW397.85 g/mol
LogP2.98
Rot. Bonds5

About N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120753312) has the molecular formula C19H22ClF2N3O2 and a molecular weight of 397.85 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120753312
Molecular FormulaC19H22ClF2N3O2
Molecular Weight397.85 g/mol
Exact Mass397.14
IUPAC NameN-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)Nc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C19H21F2N3O2.ClH/c1-26-18-5-3-2-4-16(18)17-11-22-6-7-24(17)12-19(25)23-15-9-13(20)8-14(21)10-15;/h2-5,8-10,17,22H,6-7,11-12H2,1H3,(H,23,25);1H
InChIKeyCSPDYRMAQQWHTL-UHFFFAOYSA-N
XLogP2.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754096
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120753860
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753715
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 120753156
N-(2-acetylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753523
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120753312) is N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is COc1ccccc1C1CNCCN1CC(=O)Nc1cc(F)cc(F)c1.Cl.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is CSPDYRMAQQWHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2.ClH/c1-26-18-5-3-2-4-16(18)17-11-22-6-7-24(17)12-19(25)23-15-9-13(20)8-14(21)10-15;/h2-5,8-10,17,22H,6-7,11-12H2,1H3,(H,23,25);1H.
What are the key properties of N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 397.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120753312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).