(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone

C16H15FN2O — CID 143120198

IUPAC(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccncc2)cc1F)N1CCCC1
InChIInChI=1S/C16H15FN2O/c17-15-11-13(12-5-7-18-8-6-12)3-4-14(15)16(20)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2
InChIKeyJPRPAGWDKGKRCN-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.12
Rot. Bonds2

About (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone

(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 143120198) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID143120198
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccncc2)cc1F)N1CCCC1
InChIInChI=1S/C16H15FN2O/c17-15-11-13(12-5-7-18-8-6-12)3-4-14(15)16(20)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2
InChIKeyJPRPAGWDKGKRCN-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
3-(piperidine-1-carbonyl)-6-pyridin-4-yl-1H-pyridin-2-one
CID 129353314
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119373691
1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119417023
[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone
CID 146140219
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488820
2-[3-fluoro-4-(pyrrolidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168610084
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
methyl 2-(piperazine-1-carbonyl)-5-pyridin-4-ylbenzoate
CID 22329728
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone (CID 143120198) is (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2ccncc2)cc1F)N1CCCC1.
What is the InChIKey of (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is JPRPAGWDKGKRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-11-13(12-5-7-18-8-6-12)3-4-14(15)16(20)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2.
What are the key properties of (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone?
(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 270.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 143120198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).