N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide

C16H22F3N3O — CID 163974810

IUPACN-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
SMILESCC1CN(C(C(=O)NCC(F)F)c2ccc(F)cc2)C(C)CN1
InChIInChI=1S/C16H22F3N3O/c1-10-9-22(11(2)7-20-10)15(16(23)21-8-14(18)19)12-3-5-13(17)6-4-12/h3-6,10-11,14-15,20H,7-9H2,1-2H3,(H,21,23)
InChIKeySTEJLIMXNXEFST-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.93
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide

N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 163974810) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
PubChem CID163974810
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC NameN-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
SMILESCC1CN(C(C(=O)NCC(F)F)c2ccc(F)cc2)C(C)CN1
InChIInChI=1S/C16H22F3N3O/c1-10-9-22(11(2)7-20-10)15(16(23)21-8-14(18)19)12-3-5-13(17)6-4-12/h3-6,10-11,14-15,20H,7-9H2,1-2H3,(H,21,23)
InChIKeySTEJLIMXNXEFST-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide (CID 163974810) is N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide is CC1CN(C(C(=O)NCC(F)F)c2ccc(F)cc2)C(C)CN1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is STEJLIMXNXEFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-10-9-22(11(2)7-20-10)15(16(23)21-8-14(18)19)12-3-5-13(17)6-4-12/h3-6,10-11,14-15,20H,7-9H2,1-2H3,(H,21,23).
What are the key properties of N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide?
N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 329.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(2,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 163974810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).