2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

C19H18ClF2N3O3 — CID 2453681

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H18ClF2N3O3/c20-13-2-1-3-15(10-13)25-8-6-24(7-9-25)12-18(26)23-14-4-5-16-17(11-14)28-19(21,22)27-16/h1-5,10-11H,6-9,12H2,(H,23,26)
InChIKeyLZQBVFSSQMGXFH-UHFFFAOYSA-N
MW409.82 g/mol
LogP3.42
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (PubChem CID 2453681) has the molecular formula C19H18ClF2N3O3 and a molecular weight of 409.82 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
PubChem CID2453681
Molecular FormulaC19H18ClF2N3O3
Molecular Weight409.82 g/mol
Exact Mass409.10
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H18ClF2N3O3/c20-13-2-1-3-15(10-13)25-8-6-24(7-9-25)12-18(26)23-14-4-5-16-17(11-14)28-19(21,22)27-16/h1-5,10-11H,6-9,12H2,(H,23,26)
InChIKeyLZQBVFSSQMGXFH-UHFFFAOYSA-N
XLogP3.42
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 8007888
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146876
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904442
1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 132846933
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8994134
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 9431269
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CID 2453681) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is LZQBVFSSQMGXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O3/c20-13-2-1-3-15(10-13)25-8-6-24(7-9-25)12-18(26)23-14-4-5-16-17(11-14)28-19(21,22)27-16/h1-5,10-11H,6-9,12H2,(H,23,26).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 409.82 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 2453681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).