[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate

C28H20ClNO4 — CID 126184796

IUPAC[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C28H20ClNO4/c29-22-17-15-20(16-18-22)26(25(31)19-9-3-1-4-10-19)34-28(33)23-13-7-8-14-24(23)30-27(32)21-11-5-2-6-12-21/h1-18,26H,(H,30,32)/t26-/m1/s1
InChIKeyKQEVHVBYRYVIMC-AREMUKBSSA-N
MW469.92 g/mol
LogP6.37
Rot. Bonds7

About [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate (PubChem CID 126184796) has the molecular formula C28H20ClNO4 and a molecular weight of 469.92 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
PubChem CID126184796
Molecular FormulaC28H20ClNO4
Molecular Weight469.92 g/mol
Exact Mass469.11
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C28H20ClNO4/c29-22-17-15-20(16-18-22)26(25(31)19-9-3-1-4-10-19)34-28(33)23-13-7-8-14-24(23)30-27(32)21-11-5-2-6-12-21/h1-18,26H,(H,30,32)/t26-/m1/s1
InChIKeyKQEVHVBYRYVIMC-AREMUKBSSA-N
XLogP6.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.92
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-acetamidobenzoate
CID 6552599
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126177869
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
CID 174432426
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126188262
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
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-acetamido-4-methylbenzoate
CID 126186799

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate (CID 126184796) is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate is O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate?
The InChIKey is KQEVHVBYRYVIMC-AREMUKBSSA-N. The full InChI is InChI=1S/C28H20ClNO4/c29-22-17-15-20(16-18-22)26(25(31)19-9-3-1-4-10-19)34-28(33)23-13-7-8-14-24(23)30-27(32)21-11-5-2-6-12-21/h1-18,26H,(H,30,32)/t26-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate?
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate has a molecular weight of 469.92 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate is sourced from PubChem (CID 126184796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).