N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C19H19F4N3O — CID 6466887

IUPACN-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H19F4N3O/c20-16-6-1-2-7-17(16)24-18(27)13-25-8-10-26(11-9-25)15-5-3-4-14(12-15)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyCKPVUQFYOYCNCT-UHFFFAOYSA-N
MW381.37 g/mol
LogP3.61
Rot. Bonds4

About N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 6466887) has the molecular formula C19H19F4N3O and a molecular weight of 381.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID6466887
Molecular FormulaC19H19F4N3O
Molecular Weight381.37 g/mol
Exact Mass381.15
IUPAC NameN-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H19F4N3O/c20-16-6-1-2-7-17(16)24-18(27)13-25-8-10-26(11-9-25)15-5-3-4-14(12-15)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyCKPVUQFYOYCNCT-UHFFFAOYSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
N-(2,3-dichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199177
N-(2,4,5-trichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199205
N-(2-morpholin-4-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3717651
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548080
N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
N-(2-methyl-4-oxopentan-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 51111743
N-(tert-butylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 2088202
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 6466887) is N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is CKPVUQFYOYCNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O/c20-16-6-1-2-7-17(16)24-18(27)13-25-8-10-26(11-9-25)15-5-3-4-14(12-15)19(21,22)23/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 381.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6466887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).