1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one

C19H20F2N2O2 — CID 71173903

IUPAC1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one
SMILESC[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)c1cc(N2CCCC2=O)ccn1
InChIInChI=1S/C19H20F2N2O2/c1-12(7-13-8-14(20)10-15(21)9-13)19(25)17-11-16(4-5-22-17)23-6-2-3-18(23)24/h4-5,8-12,19,25H,2-3,6-7H2,1H3/t12-,19-/m0/s1
InChIKeyFHMVUODBFNVVAJ-BUXKBTBVSA-N
MW346.38 g/mol
LogP3.40
Rot. Bonds5

About 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one

1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one (PubChem CID 71173903) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one
PubChem CID71173903
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one
SMILESC[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)c1cc(N2CCCC2=O)ccn1
InChIInChI=1S/C19H20F2N2O2/c1-12(7-13-8-14(20)10-15(21)9-13)19(25)17-11-16(4-5-22-17)23-6-2-3-18(23)24/h4-5,8-12,19,25H,2-3,6-7H2,1H3/t12-,19-/m0/s1
InChIKeyFHMVUODBFNVVAJ-BUXKBTBVSA-N
XLogP3.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 166609012
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51260024
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 154840400
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111036513
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644
2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 111460652
1-[4-[(1S)-1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124692405
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one (CID 71173903) is 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one is C[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)c1cc(N2CCCC2=O)ccn1.
What is the InChIKey of 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one?
The InChIKey is FHMVUODBFNVVAJ-BUXKBTBVSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12(7-13-8-14(20)10-15(21)9-13)19(25)17-11-16(4-5-22-17)23-6-2-3-18(23)24/h4-5,8-12,19,25H,2-3,6-7H2,1H3/t12-,19-/m0/s1.
What are the key properties of 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one?
1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one has a molecular weight of 346.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-2-methylpropyl]-4-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 71173903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).