(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone

C17H23FN2O — CID 62660514

IUPAC(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone
SMILESCNc1c(F)cccc1C(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C17H23FN2O/c1-19-16-13(8-4-9-14(16)18)17(21)20-11-5-10-15(20)12-6-2-3-7-12/h4,8-9,12,15,19H,2-3,5-7,10-11H2,1H3
InChIKeyGRCPQGRIDOLRMN-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.66
Rot. Bonds3

About (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone

(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone (PubChem CID 62660514) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone
PubChem CID62660514
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone
SMILESCNc1c(F)cccc1C(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C17H23FN2O/c1-19-16-13(8-4-9-14(16)18)17(21)20-11-5-10-15(20)12-6-2-3-7-12/h4,8-9,12,15,19H,2-3,5-7,10-11H2,1H3
InChIKeyGRCPQGRIDOLRMN-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62659921
[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62660396
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3,5-difluoro-4-(methylamino)phenyl]methanone
CID 65324906
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
[4-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 62660653
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 80711637
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-6-fluorophenyl)methanone
CID 115678205
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 42940489
[2-(ethylamino)-3-fluorophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62648743

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone?
The IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone (CID 62660514) is (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone.
What is the SMILES notation for (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone?
The canonical SMILES for (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone is CNc1c(F)cccc1C(=O)N1CCCC1C1CCCC1.
What is the InChIKey of (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone?
The InChIKey is GRCPQGRIDOLRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-19-16-13(8-4-9-14(16)18)17(21)20-11-5-10-15(20)12-6-2-3-7-12/h4,8-9,12,15,19H,2-3,5-7,10-11H2,1H3.
What are the key properties of (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone?
(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone has a molecular weight of 290.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 62660514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).