3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one

C18H17ClFNO — CID 154004503

IUPAC3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one
SMILESCC1C(c2cccc(F)c2)CNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO/c1-11-15(12-5-4-6-13(20)9-12)10-21-18(22)17(11)14-7-2-3-8-16(14)19/h2-9,11,15,17H,10H2,1H3,(H,21,22)
InChIKeyNOYCABWURDHAKS-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.11
Rot. Bonds2

About 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one

3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one (PubChem CID 154004503) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one
PubChem CID154004503
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one
SMILESCC1C(c2cccc(F)c2)CNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO/c1-11-15(12-5-4-6-13(20)9-12)10-21-18(22)17(11)14-7-2-3-8-16(14)19/h2-9,11,15,17H,10H2,1H3,(H,21,22)
InChIKeyNOYCABWURDHAKS-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one (CID 154004503) is 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one is CC1C(c2cccc(F)c2)CNC(=O)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one?
The InChIKey is NOYCABWURDHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c1-11-15(12-5-4-6-13(20)9-12)10-21-18(22)17(11)14-7-2-3-8-16(14)19/h2-9,11,15,17H,10H2,1H3,(H,21,22).
What are the key properties of 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one?
3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one has a molecular weight of 317.79 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(3-fluorophenyl)-4-methylpiperidin-2-one is sourced from PubChem (CID 154004503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).