2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide

C16H14ClF3N2O2 — CID 2425411

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1ccccc1
InChIInChI=1S/C16H14ClF3N2O2/c17-13-8-12(16(18,19)20)9-22(15(13)24)10-14(23)21-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,23)
InChIKeyKVZOGXVYVRXIDN-UHFFFAOYSA-N
MW358.75 g/mol
LogP2.88
Rot. Bonds5

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide (PubChem CID 2425411) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide
PubChem CID2425411
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1ccccc1
InChIInChI=1S/C16H14ClF3N2O2/c17-13-8-12(16(18,19)20)9-22(15(13)24)10-14(23)21-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,23)
InChIKeyKVZOGXVYVRXIDN-UHFFFAOYSA-N
XLogP2.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 52.88
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-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide (CID 2425411) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1ccccc1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide?
The InChIKey is KVZOGXVYVRXIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c17-13-8-12(16(18,19)20)9-22(15(13)24)10-14(23)21-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide has a molecular weight of 358.75 g/mol, XLogP of 2.88, 5 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 2425411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).