3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one

C19H22ClF2NO — CID 146396991

IUPAC3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2c(F)cccc2F)c(C(C)(C)C(C)C)cc(Cl)c1=O
InChIInChI=1S/C19H22ClF2NO/c1-6-23-17(16-14(21)8-7-9-15(16)22)12(10-13(20)18(23)24)19(4,5)11(2)3/h7-11H,6H2,1-5H3
InChIKeyNNPBEFWVTPBDJN-UHFFFAOYSA-N
MW353.84 g/mol
LogP5.40
Rot. Bonds4

About 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one

3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one (PubChem CID 146396991) has the molecular formula C19H22ClF2NO and a molecular weight of 353.84 g/mol. Its IUPAC name is 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one
PubChem CID146396991
Molecular FormulaC19H22ClF2NO
Molecular Weight353.84 g/mol
Exact Mass353.14
IUPAC Name3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2c(F)cccc2F)c(C(C)(C)C(C)C)cc(Cl)c1=O
InChIInChI=1S/C19H22ClF2NO/c1-6-23-17(16-14(21)8-7-9-15(16)22)12(10-13(20)18(23)24)19(4,5)11(2)3/h7-11H,6H2,1-5H3
InChIKeyNNPBEFWVTPBDJN-UHFFFAOYSA-N
XLogP5.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.84
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one?
The IUPAC name of 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one (CID 146396991) is 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one?
The canonical SMILES for 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one is CCn1c(-c2c(F)cccc2F)c(C(C)(C)C(C)C)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one?
The InChIKey is NNPBEFWVTPBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2NO/c1-6-23-17(16-14(21)8-7-9-15(16)22)12(10-13(20)18(23)24)19(4,5)11(2)3/h7-11H,6H2,1-5H3.
What are the key properties of 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one?
3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one has a molecular weight of 353.84 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one is sourced from PubChem (CID 146396991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).