2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide

C15H18ClF3N2O3 — CID 126445754

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESCN(C[C@H]1CCCCO1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H18ClF3N2O3/c1-20(8-11-4-2-3-5-24-11)13(22)9-21-7-10(15(17,18)19)6-12(16)14(21)23/h6-7,11H,2-5,8-9H2,1H3/t11-/m1/s1
InChIKeyPSXKMTKMVXTTSQ-LLVKDONJSA-N
MW366.77 g/mol
LogP2.55
Rot. Bonds4

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide (PubChem CID 126445754) has the molecular formula C15H18ClF3N2O3 and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
PubChem CID126445754
Molecular FormulaC15H18ClF3N2O3
Molecular Weight366.77 g/mol
Exact Mass366.10
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESCN(C[C@H]1CCCCO1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C15H18ClF3N2O3/c1-20(8-11-4-2-3-5-24-11)13(22)9-21-7-10(15(17,18)19)6-12(16)14(21)23/h6-7,11H,2-5,8-9H2,1H3/t11-/m1/s1
InChIKeyPSXKMTKMVXTTSQ-LLVKDONJSA-N
XLogP2.55
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 72938624
2-(3-methoxy-2-oxo-1-pyridinyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97280486
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97281790
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 166191312
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97277530
3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
CID 56570581
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide (CID 126445754) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide is CN(C[C@H]1CCCCO1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The InChIKey is PSXKMTKMVXTTSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClF3N2O3/c1-20(8-11-4-2-3-5-24-11)13(22)9-21-7-10(15(17,18)19)6-12(16)14(21)23/h6-7,11H,2-5,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide has a molecular weight of 366.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 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-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 126445754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).