(4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one

C17H16F2N2O — CID 138106851

IUPAC(4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCc1cnccc1CN1C[C@@H](c2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C17H16F2N2O/c1-11-8-20-3-2-12(11)9-21-10-14(6-17(21)22)13-4-15(18)7-16(19)5-13/h2-5,7-8,14H,6,9-10H2,1H3/t14-/m0/s1
InChIKeyJLTZBYZOWVBLBQ-AWEZNQCLSA-N
MW302.32 g/mol
LogP3.18
Rot. Bonds3

About (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one

(4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 138106851) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID138106851
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name(4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCc1cnccc1CN1C[C@@H](c2cc(F)cc(F)c2)CC1=O
InChIInChI=1S/C17H16F2N2O/c1-11-8-20-3-2-12(11)9-21-10-14(6-17(21)22)13-4-15(18)7-16(19)5-13/h2-5,7-8,14H,6,9-10H2,1H3/t14-/m0/s1
InChIKeyJLTZBYZOWVBLBQ-AWEZNQCLSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cotinine
CID 854019
(+-)-Cotinine
CID 408
(1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)
CID 6445781
cotinine N-oxide
CID 9815514
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 139953895
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
R-(+)-Cotinine
CID 21907
Ro 23-7637
CID 129491
2-phenyl-N-(pyridin-4-yl)butanamide
CID 427060
3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 9798888
N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl]pentanamide
CID 10979734
N-(3,3-Diphenyl-propyl)-2-pyridine-3-ylacetamide
CID 11976254

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one (CID 138106851) is (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one is Cc1cnccc1CN1C[C@@H](c2cc(F)cc(F)c2)CC1=O.
What is the InChIKey of (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is JLTZBYZOWVBLBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16F2N2O/c1-11-8-20-3-2-12(11)9-21-10-14(6-17(21)22)13-4-15(18)7-16(19)5-13/h2-5,7-8,14H,6,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one?
(4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 302.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-difluorophenyl)-1-[(3-methyl-4-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 138106851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).