(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone

C16H15FN2O — CID 61294927

IUPAC(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccnc(F)c1)N1CCCC1c1ccccc1
InChIInChI=1S/C16H15FN2O/c17-15-11-13(8-9-18-15)16(20)19-10-4-7-14(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14H,4,7,10H2
InChIKeyOKEVARTXYZWTDH-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.20
Rot. Bonds2

About (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone

(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 61294927) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID61294927
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccnc(F)c1)N1CCCC1c1ccccc1
InChIInChI=1S/C16H15FN2O/c17-15-11-13(8-9-18-15)16(20)19-10-4-7-14(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14H,4,7,10H2
InChIKeyOKEVARTXYZWTDH-UHFFFAOYSA-N
XLogP3.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 78949928
[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125167205

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone (CID 61294927) is (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1ccnc(F)c1)N1CCCC1c1ccccc1.
What is the InChIKey of (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is OKEVARTXYZWTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-11-13(8-9-18-15)16(20)19-10-4-7-14(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14H,4,7,10H2.
What are the key properties of (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone?
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61294927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).