2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate

C35H23Cl2NO6 — CID 99661934

IUPAC2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C35H23Cl2NO6/c36-26-18-14-24(15-19-26)32(30(39)22-8-3-1-4-9-22)43-34(41)28-12-7-13-29(38-28)35(42)44-33(25-16-20-27(37)21-17-25)31(40)23-10-5-2-6-11-23/h1-21,32-33H/t32-,33+
InChIKeyPXPQYMLDOSCTRV-CZFRINIUSA-N
MW624.48 g/mol
LogP7.95
Rot. Bonds10

About 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate

2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate (PubChem CID 99661934) has the molecular formula C35H23Cl2NO6 and a molecular weight of 624.48 g/mol. Its IUPAC name is 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate
PubChem CID99661934
Molecular FormulaC35H23Cl2NO6
Molecular Weight624.48 g/mol
Exact Mass623.09
IUPAC Name2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C35H23Cl2NO6/c36-26-18-14-24(15-19-26)32(30(39)22-8-3-1-4-9-22)43-34(41)28-12-7-13-29(38-28)35(42)44-33(25-16-20-27(37)21-17-25)31(40)23-10-5-2-6-11-23/h1-21,32-33H/t32-,33+
InChIKeyPXPQYMLDOSCTRV-CZFRINIUSA-N
XLogP7.95
TPSA99.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.48
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126188262
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
CID 126184796
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-acetamidobenzoate
CID 6552599
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 11837739
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-bromo-2-hydroxybenzoate
CID 27138525
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-oxochromene-3-carboxylate
CID 3766105
[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
CID 132540788

Frequently Asked Questions

What is the IUPAC name of 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate?
The IUPAC name of 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate (CID 99661934) is 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate is O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate?
The InChIKey is PXPQYMLDOSCTRV-CZFRINIUSA-N. The full InChI is InChI=1S/C35H23Cl2NO6/c36-26-18-14-24(15-19-26)32(30(39)22-8-3-1-4-9-22)43-34(41)28-12-7-13-29(38-28)35(42)44-33(25-16-20-27(37)21-17-25)31(40)23-10-5-2-6-11-23/h1-21,32-33H/t32-,33+.
What are the key properties of 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate?
2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate has a molecular weight of 624.48 g/mol, XLogP of 7.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 99661934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).