N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide

C20H20ClF3N4O3 — CID 2741751

IUPACN-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C20H20ClF3N4O3/c1-13(29)26-15-2-4-16(5-3-15)31-12-18(30)27-6-8-28(9-7-27)19-17(21)10-14(11-25-19)20(22,23)24/h2-5,10-11H,6-9,12H2,1H3,(H,26,29)
InChIKeyAGPPVIWKMZOMLZ-UHFFFAOYSA-N
MW456.85 g/mol
LogP3.44
Rot. Bonds5

About N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide

N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 2741751) has the molecular formula C20H20ClF3N4O3 and a molecular weight of 456.85 g/mol. Its IUPAC name is N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID2741751
Molecular FormulaC20H20ClF3N4O3
Molecular Weight456.85 g/mol
Exact Mass456.12
IUPAC NameN-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C20H20ClF3N4O3/c1-13(29)26-15-2-4-16(5-3-15)31-12-18(30)27-6-8-28(9-7-27)19-17(21)10-14(11-25-19)20(22,23)24/h2-5,10-11H,6-9,12H2,1H3,(H,26,29)
InChIKeyAGPPVIWKMZOMLZ-UHFFFAOYSA-N
XLogP3.44
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]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-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide (CID 2741751) is N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is AGPPVIWKMZOMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O3/c1-13(29)26-15-2-4-16(5-3-15)31-12-18(30)27-6-8-28(9-7-27)19-17(21)10-14(11-25-19)20(22,23)24/h2-5,10-11H,6-9,12H2,1H3,(H,26,29).
What are the key properties of N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 456.85 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 2741751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).