2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C16H21ClF3N3O — CID 78894567

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C16H21ClF3N3O/c1-12-3-4-13(17)9-14(12)23-7-5-22(6-8-23)10-15(24)21(2)11-16(18,19)20/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyFBCDXJSEODQQMO-UHFFFAOYSA-N
MW363.81 g/mol
LogP2.79
Rot. Bonds4

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78894567) has the molecular formula C16H21ClF3N3O and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78894567
Molecular FormulaC16H21ClF3N3O
Molecular Weight363.81 g/mol
Exact Mass363.13
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C16H21ClF3N3O/c1-12-3-4-13(17)9-14(12)23-7-5-22(6-8-23)10-15(24)21(2)11-16(18,19)20/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyFBCDXJSEODQQMO-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 78894567) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FBCDXJSEODQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O/c1-12-3-4-13(17)9-14(12)23-7-5-22(6-8-23)10-15(24)21(2)11-16(18,19)20/h3-4,9H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 363.81 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78894567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).