2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C13H12Cl3F3N2O2 — CID 1310650

IUPAC2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C13H12Cl3F3N2O2/c14-12(15,16)11(22)20-9-7-8(13(17,18)19)1-2-10(9)21-3-5-23-6-4-21/h1-2,7H,3-6H2,(H,20,22)
InChIKeyXLPWOLDGCAEUQR-UHFFFAOYSA-N
MW391.60 g/mol
LogP3.85
Rot. Bonds2

About 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1310650) has the molecular formula C13H12Cl3F3N2O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1310650
Molecular FormulaC13H12Cl3F3N2O2
Molecular Weight391.60 g/mol
Exact Mass389.99
IUPAC Name2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C13H12Cl3F3N2O2/c14-12(15,16)11(22)20-9-7-8(13(17,18)19)1-2-10(9)21-3-5-23-6-4-21/h1-2,7H,3-6H2,(H,20,22)
InChIKeyXLPWOLDGCAEUQR-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)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 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 1310650) is 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XLPWOLDGCAEUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3F3N2O2/c14-12(15,16)11(22)20-9-7-8(13(17,18)19)1-2-10(9)21-3-5-23-6-4-21/h1-2,7H,3-6H2,(H,20,22).
What are the key properties of 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 391.60 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1310650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).