6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one

C15H17ClFNO — CID 142452840

IUPAC6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one
SMILESCC(C)CC1=C(c2ccc(F)cc2Cl)NC(=O)CC1
InChIInChI=1S/C15H17ClFNO/c1-9(2)7-10-3-6-14(19)18-15(10)12-5-4-11(17)8-13(12)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyGHRCIGGPINEQGJ-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.15
Rot. Bonds3

About 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one

6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one (PubChem CID 142452840) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one
PubChem CID142452840
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one
SMILESCC(C)CC1=C(c2ccc(F)cc2Cl)NC(=O)CC1
InChIInChI=1S/C15H17ClFNO/c1-9(2)7-10-3-6-14(19)18-15(10)12-5-4-11(17)8-13(12)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyGHRCIGGPINEQGJ-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one (CID 142452840) is 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one is CC(C)CC1=C(c2ccc(F)cc2Cl)NC(=O)CC1.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is GHRCIGGPINEQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-9(2)7-10-3-6-14(19)18-15(10)12-5-4-11(17)8-13(12)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one?
6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 281.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-5-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 142452840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).