2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide

C20H21F3N2O2 — CID 36598462

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-8-9-18(27)25(12-16)13-17(26)24-14-19(10-4-5-11-19)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,24,26)
InChIKeyILFBXXUQRSFBPO-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.50
Rot. Bonds5

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide (PubChem CID 36598462) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
PubChem CID36598462
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-8-9-18(27)25(12-16)13-17(26)24-14-19(10-4-5-11-19)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,24,26)
InChIKeyILFBXXUQRSFBPO-UHFFFAOYSA-N
XLogP3.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide (CID 36598462) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The InChIKey is ILFBXXUQRSFBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)16-8-9-18(27)25(12-16)13-17(26)24-14-19(10-4-5-11-19)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,24,26).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide has a molecular weight of 378.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 36598462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).