2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

C16H19ClFNO — CID 103046623

IUPAC2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFNO/c17-12-6-7-14(18)11(9-12)10-19-8-2-4-15(19)13-3-1-5-16(13)20/h6-7,9,13,15H,1-5,8,10H2
InChIKeyJVHLTPNUYUYSNU-UHFFFAOYSA-N
MW295.78 g/mol
LogP3.81
Rot. Bonds3

About 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 103046623) has the molecular formula C16H19ClFNO and a molecular weight of 295.78 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID103046623
Molecular FormulaC16H19ClFNO
Molecular Weight295.78 g/mol
Exact Mass295.11
IUPAC Name2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFNO/c17-12-6-7-14(18)11(9-12)10-19-8-2-4-15(19)13-3-1-5-16(13)20/h6-7,9,13,15H,1-5,8,10H2
InChIKeyJVHLTPNUYUYSNU-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.78
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(4-Chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 11959663
2-(3-Chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747004
2-(3-Chlorophenyl)-1-[2-(2-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747048
2-(3-Chloro-4-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 103039492
1-[1-[(5-Chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 103046618
4-[(5-Chloro-2-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 103046622
2-[1-[(5-Chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103046624
2-[1-[(5-Chloro-2-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 103046625
1-[1-[(5-Chloro-2-fluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 103046626
1-(5-Chloro-2-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 103048061
1-(5-Chloro-2-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-one
CID 103048066
2-(5-Chloro-2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 103048068

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 103046623) is 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is JVHLTPNUYUYSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c17-12-6-7-14(18)11(9-12)10-19-8-2-4-15(19)13-3-1-5-16(13)20/h6-7,9,13,15H,1-5,8,10H2.
What are the key properties of 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 295.78 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 103046623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).