2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone

C17H16ClFN2O — CID 42942672

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC1c1ccncc1
InChIInChI=1S/C17H16ClFN2O/c18-14-3-1-4-15(19)13(14)11-17(22)21-10-2-5-16(21)12-6-8-20-9-7-12/h1,3-4,6-9,16H,2,5,10-11H2
InChIKeyLZADFOPMAIDKEJ-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.78
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone (PubChem CID 42942672) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
PubChem CID42942672
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCC1c1ccncc1
InChIInChI=1S/C17H16ClFN2O/c18-14-3-1-4-15(19)13(14)11-17(22)21-10-2-5-16(21)12-6-8-20-9-7-12/h1,3-4,6-9,16H,2,5,10-11H2
InChIKeyLZADFOPMAIDKEJ-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone (CID 42942672) is 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone is O=C(Cc1c(F)cccc1Cl)N1CCCC1c1ccncc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The InChIKey is LZADFOPMAIDKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-3-1-4-15(19)13(14)11-17(22)21-10-2-5-16(21)12-6-8-20-9-7-12/h1,3-4,6-9,16H,2,5,10-11H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone has a molecular weight of 318.78 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 42942672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).