(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C16H21FN2O — CID 81477265

IUPAC(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC2C2CCCN2)c1F
InChIInChI=1S/C16H21FN2O/c1-11-5-2-6-12(15(11)17)16(20)19-10-4-8-14(19)13-7-3-9-18-13/h2,5-6,13-14,18H,3-4,7-10H2,1H3
InChIKeyQABPZAZJXFTXIY-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.49
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 81477265) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID81477265
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC2C2CCCN2)c1F
InChIInChI=1S/C16H21FN2O/c1-11-5-2-6-12(15(11)17)16(20)19-10-4-8-14(19)13-7-3-9-18-13/h2,5-6,13-14,18H,3-4,7-10H2,1H3
InChIKeyQABPZAZJXFTXIY-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81265009
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256799
(2,6-difluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274583
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 102679421
(2-methylsulfanylphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 79213916
(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274234
(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273196
(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274236
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 80711637
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256547
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
(2-fluoro-3-methylphenyl)-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129349780

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 81477265) is (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is Cc1cccc(C(=O)N2CCCC2C2CCCN2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is QABPZAZJXFTXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11-5-2-6-12(15(11)17)16(20)19-10-4-8-14(19)13-7-3-9-18-13/h2,5-6,13-14,18H,3-4,7-10H2,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 276.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81477265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).