methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C22H20ClF2NO3 — CID 42854520

IUPACmethyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2cccc(Cl)c2)CC(=O)N1Cc1ccc(F)cc1F
InChIInChI=1S/C22H20ClF2NO3/c1-3-19-21(22(28)29-2)17(13-5-4-6-15(23)9-13)11-20(27)26(19)12-14-7-8-16(24)10-18(14)25/h4-10,17H,3,11-12H2,1-2H3
InChIKeyGWLFYQFSQNHDAK-UHFFFAOYSA-N
MW419.86 g/mol
LogP4.97
Rot. Bonds5

About methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate

methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854520) has the molecular formula C22H20ClF2NO3 and a molecular weight of 419.86 g/mol. Its IUPAC name is methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID42854520
Molecular FormulaC22H20ClF2NO3
Molecular Weight419.86 g/mol
Exact Mass419.11
IUPAC Namemethyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2cccc(Cl)c2)CC(=O)N1Cc1ccc(F)cc1F
InChIInChI=1S/C22H20ClF2NO3/c1-3-19-21(22(28)29-2)17(13-5-4-6-15(23)9-13)11-20(27)26(19)12-14-7-8-16(24)10-18(14)25/h4-10,17H,3,11-12H2,1-2H3
InChIKeyGWLFYQFSQNHDAK-UHFFFAOYSA-N
XLogP4.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854511
ethyl 4-(3-chlorophenyl)-6-ethyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049343
ethyl 1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854459
2-methylpropyl (4S)-1-[(2,4-difluorophenyl)methyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93332198
prop-2-enyl 4-(3-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854679
propan-2-yl 4-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854819
2-methylpropyl 1-[(2,4-difluorophenyl)methyl]-4-(3,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854888
tert-butyl 1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 42854626
benzyl 4-(2-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854547
ethyl 1-ethyl-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854462
ethyl 4-(3-chlorophenyl)-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761501
ethyl 4-(3-chlorophenyl)-1-[[4-(2-methoxyethylcarbamoyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761227

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42854520) is methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCC1=C(C(=O)OC)C(c2cccc(Cl)c2)CC(=O)N1Cc1ccc(F)cc1F.
What is the InChIKey of methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is GWLFYQFSQNHDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2NO3/c1-3-19-21(22(28)29-2)17(13-5-4-6-15(23)9-13)11-20(27)26(19)12-14-7-8-16(24)10-18(14)25/h4-10,17H,3,11-12H2,1-2H3.
What are the key properties of methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 419.86 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-ethyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).