4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one

C17H18ClNO3 — CID 138656501

IUPAC4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one
SMILESCCC(=O)c1ccc(Cl)cc1-c1cc(=O)n(CC)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-4-15(20)12-7-6-11(18)8-13(12)14-9-17(21)19(5-2)10-16(14)22-3/h6-10H,4-5H2,1-3H3
InChIKeyVVIHIFGHOPFFSY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.79
Rot. Bonds5

About 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one

4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one (PubChem CID 138656501) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one
PubChem CID138656501
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one
SMILESCCC(=O)c1ccc(Cl)cc1-c1cc(=O)n(CC)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-4-15(20)12-7-6-11(18)8-13(12)14-9-17(21)19(5-2)10-16(14)22-3/h6-10H,4-5H2,1-3H3
InChIKeyVVIHIFGHOPFFSY-UHFFFAOYSA-N
XLogP3.79
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 138655942
4-[[2-[4-(5-chloro-2-propanoylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]benzoic acid
CID 134323512
2-[4-[2-(1-amino-4,4-difluoro-3-oxobut-1-enyl)-5-chlorophenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoic acid
CID 147065707
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)butanamide
CID 138656592
4-[[(2S)-2-[4-(5-chloro-2-propanoylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1-cyclopropylpyrazol-3-yl)propanoyl]amino]benzoic acid
CID 134323884
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266
(1-ethyl-5-methoxy-2-oxo-4-pyridinyl)oxyboronic acid
CID 142797924
1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one
CID 118813125
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-[2-(4-bromo-2-pyridinyl)-4-chlorophenyl]propan-1-one
CID 174673419

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one?
The IUPAC name of 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one (CID 138656501) is 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one.
What is the SMILES notation for 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one?
The canonical SMILES for 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one is CCC(=O)c1ccc(Cl)cc1-c1cc(=O)n(CC)cc1OC.
What is the InChIKey of 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one?
The InChIKey is VVIHIFGHOPFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-4-15(20)12-7-6-11(18)8-13(12)14-9-17(21)19(5-2)10-16(14)22-3/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one?
4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one has a molecular weight of 319.79 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-propanoylphenyl)-1-ethyl-5-methoxypyridin-2-one is sourced from PubChem (CID 138656501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).