2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide

C18H17ClF3N3O3 — CID 2569230

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17ClF3N3O3/c19-15-9-12(18(20,21)22)10-25(17(15)27)11-16(26)23-13-1-3-14(4-2-13)24-5-7-28-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKeyZHTDUXGDFRWTDB-UHFFFAOYSA-N
MW415.80 g/mol
LogP3.00
Rot. Bonds4

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2569230) has the molecular formula C18H17ClF3N3O3 and a molecular weight of 415.80 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2569230
Molecular FormulaC18H17ClF3N3O3
Molecular Weight415.80 g/mol
Exact Mass415.09
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17ClF3N3O3/c19-15-9-12(18(20,21)22)10-25(17(15)27)11-16(26)23-13-1-3-14(4-2-13)24-5-7-28-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKeyZHTDUXGDFRWTDB-UHFFFAOYSA-N
XLogP3.00
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2569230) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZHTDUXGDFRWTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3/c19-15-9-12(18(20,21)22)10-25(17(15)27)11-16(26)23-13-1-3-14(4-2-13)24-5-7-28-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,26).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 415.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2569230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).