6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one

C14H16ClNO — CID 153450493

IUPAC6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)CCC=C1c1ccc(Cl)cc1C
InChIInChI=1S/C14H16ClNO/c1-3-16-13(5-4-6-14(16)17)12-8-7-11(15)9-10(12)2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyHGBUWGKXGMLELQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.63
Rot. Bonds2

About 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one

6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one (PubChem CID 153450493) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one
PubChem CID153450493
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)CCC=C1c1ccc(Cl)cc1C
InChIInChI=1S/C14H16ClNO/c1-3-16-13(5-4-6-14(16)17)12-8-7-11(15)9-10(12)2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyHGBUWGKXGMLELQ-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451217
6-(2-bromo-4-ethoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153450359
6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
CID 153451668
3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153450717
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
1-ethyl-4,8-dihydro-3H-pyrido[3,4-b]azepin-2-one
CID 70013240
3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153451275
3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110578550
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
8-chloro-4-methyl-2,4a,5,6-tetrahydrobenzo[f]quinolin-3-one
CID 19707314
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
6-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 14957672

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one (CID 153450493) is 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one is CCN1C(=O)CCC=C1c1ccc(Cl)cc1C.
What is the InChIKey of 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
The InChIKey is HGBUWGKXGMLELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-16-13(5-4-6-14(16)17)12-8-7-11(15)9-10(12)2/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one?
6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one has a molecular weight of 249.74 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylphenyl)-1-ethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).