N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide

C14H17ClF3N3O — CID 2813139

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H17ClF3N3O/c1-20-4-6-21(7-5-20)9-13(22)19-12-3-2-10(8-11(12)15)14(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,19,22)
InChIKeyLMFAWZIMMOKPIM-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.54
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 2813139) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID2813139
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H17ClF3N3O/c1-20-4-6-21(7-5-20)9-13(22)19-12-3-2-10(8-11(12)15)14(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,19,22)
InChIKeyLMFAWZIMMOKPIM-UHFFFAOYSA-N
XLogP2.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 2813139) is N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is LMFAWZIMMOKPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O/c1-20-4-6-21(7-5-20)9-13(22)19-12-3-2-10(8-11(12)15)14(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,19,22).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 335.76 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2813139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).