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

C20H21F4N3O — CID 109029939

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F4N3O/c21-16-6-2-4-8-18(16)27-13-11-26(12-14-27)10-9-19(28)25-17-7-3-1-5-15(17)20(22,23)24/h1-8H,9-14H2,(H,25,28)
InChIKeyQLVOJWGUFCWQAT-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.00
Rot. Bonds5

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

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109029939) has the molecular formula C20H21F4N3O and a molecular weight of 395.40 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109029939
Molecular FormulaC20H21F4N3O
Molecular Weight395.40 g/mol
Exact Mass395.16
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F4N3O/c21-16-6-2-4-8-18(16)27-13-11-26(12-14-27)10-9-19(28)25-17-7-3-1-5-15(17)20(22,23)24/h1-8H,9-14H2,(H,25,28)
InChIKeyQLVOJWGUFCWQAT-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 33402077
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
1-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17152558
3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109034854
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 154794953

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109029939) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QLVOJWGUFCWQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N3O/c21-16-6-2-4-8-18(16)27-13-11-26(12-14-27)10-9-19(28)25-17-7-3-1-5-15(17)20(22,23)24/h1-8H,9-14H2,(H,25,28).
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 395.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109029939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).