2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H17ClF3N3O — CID 120757638

IUPAC2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1c1ccccc1Cl)NCC(F)(F)F
InChIInChI=1S/C14H17ClF3N3O/c15-11-4-2-1-3-10(11)12-7-19-5-6-21(12)8-13(22)20-9-14(16,17)18/h1-4,12,19H,5-9H2,(H,20,22)
InChIKeyNGOQGKWDQRMMTJ-UHFFFAOYSA-N
MW335.76 g/mol
LogP1.96
Rot. Bonds4

About 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 120757638) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID120757638
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC Name2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1c1ccccc1Cl)NCC(F)(F)F
InChIInChI=1S/C14H17ClF3N3O/c15-11-4-2-1-3-10(11)12-7-19-5-6-21(12)8-13(22)20-9-14(16,17)18/h1-4,12,19H,5-9H2,(H,20,22)
InChIKeyNGOQGKWDQRMMTJ-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 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

N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
N-(4-acetamidophenyl)-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757424
2-[2-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 120757230
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
3-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 120757256
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 120757432
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757324
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 120739011

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 120757638) is 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCNCC1c1ccccc1Cl)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NGOQGKWDQRMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O/c15-11-4-2-1-3-10(11)12-7-19-5-6-21(12)8-13(22)20-9-14(16,17)18/h1-4,12,19H,5-9H2,(H,20,22).
What are the key properties of 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 335.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 120757638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).