2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide

C14H15ClF3N3O3 — CID 118793653

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCN1CCCC1=O
InChIInChI=1S/C14H15ClF3N3O3/c15-10-6-9(14(16,17)18)7-21(13(10)24)8-11(22)19-3-5-20-4-1-2-12(20)23/h6-7H,1-5,8H2,(H,19,22)
InChIKeyZFEKXDSDMXDEHW-UHFFFAOYSA-N
MW365.74 g/mol
LogP1.26
Rot. Bonds5

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (PubChem CID 118793653) has the molecular formula C14H15ClF3N3O3 and a molecular weight of 365.74 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
PubChem CID118793653
Molecular FormulaC14H15ClF3N3O3
Molecular Weight365.74 g/mol
Exact Mass365.08
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCN1CCCC1=O
InChIInChI=1S/C14H15ClF3N3O3/c15-10-6-9(14(16,17)18)7-21(13(10)24)8-11(22)19-3-5-20-4-1-2-12(20)23/h6-7H,1-5,8H2,(H,19,22)
InChIKeyZFEKXDSDMXDEHW-UHFFFAOYSA-N
XLogP1.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 55361512
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 18118827
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4843275
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 16564739
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
CID 24682595
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266609
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (CID 118793653) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCN1CCCC1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is ZFEKXDSDMXDEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O3/c15-10-6-9(14(16,17)18)7-21(13(10)24)8-11(22)19-3-5-20-4-1-2-12(20)23/h6-7H,1-5,8H2,(H,19,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 365.74 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 118793653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).