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

C15H11ClF4N2O2 — CID 2587431

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H11ClF4N2O2/c16-12-5-10(15(18,19)20)7-22(14(12)24)8-13(23)21-6-9-1-3-11(17)4-2-9/h1-5,7H,6,8H2,(H,21,23)
InChIKeyWEZTYYQLWQLVOH-UHFFFAOYSA-N
MW362.71 g/mol
LogP2.98
Rot. Bonds4

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2587431) has the molecular formula C15H11ClF4N2O2 and a molecular weight of 362.71 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2587431
Molecular FormulaC15H11ClF4N2O2
Molecular Weight362.71 g/mol
Exact Mass362.04
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H11ClF4N2O2/c16-12-5-10(15(18,19)20)7-22(14(12)24)8-13(23)21-6-9-1-3-11(17)4-2-9/h1-5,7H,6,8H2,(H,21,23)
InChIKeyWEZTYYQLWQLVOH-UHFFFAOYSA-N
XLogP2.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 2587431) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is WEZTYYQLWQLVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N2O2/c16-12-5-10(15(18,19)20)7-22(14(12)24)8-13(23)21-6-9-1-3-11(17)4-2-9/h1-5,7H,6,8H2,(H,21,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 362.71 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2587431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).