N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

C15H20F3N3O — CID 156555624

IUPACN-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC1CN(C(C(=O)NCC(F)F)c2ccc(F)cc2)CCN1
InChIInChI=1S/C15H20F3N3O/c1-10-9-21(7-6-19-10)14(15(22)20-8-13(17)18)11-2-4-12(16)5-3-11/h2-5,10,13-14,19H,6-9H2,1H3,(H,20,22)
InChIKeySXWOBFJIPMPJHN-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.54
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 156555624) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID156555624
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC1CN(C(C(=O)NCC(F)F)c2ccc(F)cc2)CCN1
InChIInChI=1S/C15H20F3N3O/c1-10-9-21(7-6-19-10)14(15(22)20-8-13(17)18)11-2-4-12(16)5-3-11/h2-5,10,13-14,19H,6-9H2,1H3,(H,20,22)
InChIKeySXWOBFJIPMPJHN-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.54
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-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (CID 156555624) is N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is CC1CN(C(C(=O)NCC(F)F)c2ccc(F)cc2)CCN1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is SXWOBFJIPMPJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-10-9-21(7-6-19-10)14(15(22)20-8-13(17)18)11-2-4-12(16)5-3-11/h2-5,10,13-14,19H,6-9H2,1H3,(H,20,22).
What are the key properties of N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
N-(2,2-difluoroethyl)-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 315.34 g/mol, XLogP of 1.54, 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-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 156555624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).