2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid

C23H19ClFNO5 — CID 134323721

IUPAC2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid
SMILESCOc1cn(C(Cc2ccccc2)C(=O)O)c(=O)cc1-c1c(C(C)=O)ccc(Cl)c1F
InChIInChI=1S/C23H19ClFNO5/c1-13(27)15-8-9-17(24)22(25)21(15)16-11-20(28)26(12-19(16)31-2)18(23(29)30)10-14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,29,30)
InChIKeySYYASZXMILLVNL-UHFFFAOYSA-N
MW443.86 g/mol
LogP4.39
Rot. Bonds7

About 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid

2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid (PubChem CID 134323721) has the molecular formula C23H19ClFNO5 and a molecular weight of 443.86 g/mol. Its IUPAC name is 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid
PubChem CID134323721
Molecular FormulaC23H19ClFNO5
Molecular Weight443.86 g/mol
Exact Mass443.09
IUPAC Name2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid
SMILESCOc1cn(C(Cc2ccccc2)C(=O)O)c(=O)cc1-c1c(C(C)=O)ccc(Cl)c1F
InChIInChI=1S/C23H19ClFNO5/c1-13(27)15-8-9-17(24)22(25)21(15)16-11-20(28)26(12-19(16)31-2)18(23(29)30)10-14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,29,30)
InChIKeySYYASZXMILLVNL-UHFFFAOYSA-N
XLogP4.39
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid with MolForge

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Related Compounds

2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanal
CID 138656579
methyl 4-[3-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]benzoate
CID 152899516
2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-cyclobutyl-N-(4-formylphenyl)propanamide
CID 142296000
4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(4-methylsulfonylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one
CID 158458924
[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid
CID 138687207
4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methyl-3H-benzimidazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one
CID 148909233
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 138656563
4-[[2-[4-[5-chloro-2-(2-cyclopropylacetyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzamide
CID 154959596
4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(2-methylphenyl)-2-oxobutyl]benzoic acid
CID 147272548
4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(4-isocyanophenyl)-2-oxobutyl]benzoic acid
CID 152888685
4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]benzoic acid;2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid;4-(2-acetyl-5-chlorophenyl)-5-methoxy-1H-pyridin-2-one;(2R)-2-bromo-3-phenylpropanoic acid;methyl 4-aminobenzoate
CID 161005762
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methoxyphenyl)propanoyl]amino]benzoic acid
CID 134323491

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid?
The IUPAC name of 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid (CID 134323721) is 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid is COc1cn(C(Cc2ccccc2)C(=O)O)c(=O)cc1-c1c(C(C)=O)ccc(Cl)c1F.
What is the InChIKey of 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid?
The InChIKey is SYYASZXMILLVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO5/c1-13(27)15-8-9-17(24)22(25)21(15)16-11-20(28)26(12-19(16)31-2)18(23(29)30)10-14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid?
2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid has a molecular weight of 443.86 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-acetyl-3-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoic acid is sourced from PubChem (CID 134323721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).