1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one

C19H19F3N2O2 — CID 151808004

IUPAC1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESCOCc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-26-12-14-9-16(23-17(10-14)19(20,21)22)15-6-4-13(5-7-15)11-24-8-2-3-18(24)25/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyRZZYRJKKYDYCTN-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.04
Rot. Bonds5

About 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 151808004) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID151808004
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one
SMILESCOCc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-26-12-14-9-16(23-17(10-14)19(20,21)22)15-6-4-13(5-7-15)11-24-8-2-3-18(24)25/h4-7,9-10H,2-3,8,11-12H2,1H3
InChIKeyRZZYRJKKYDYCTN-UHFFFAOYSA-N
XLogP4.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one (CID 151808004) is 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is COCc1cc(-c2ccc(CN3CCCC3=O)cc2)nc(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is RZZYRJKKYDYCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-26-12-14-9-16(23-17(10-14)19(20,21)22)15-6-4-13(5-7-15)11-24-8-2-3-18(24)25/h4-7,9-10H,2-3,8,11-12H2,1H3.
What are the key properties of 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 364.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 151808004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).