[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate

C29H22ClNO4 — CID 126187705

IUPAC[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H22ClNO4/c1-19-7-9-22(10-8-19)28(33)31-25-17-13-23(14-18-25)29(34)35-27(21-5-3-2-4-6-21)26(32)20-11-15-24(30)16-12-20/h2-18,27H,1H3,(H,31,33)/t27-/m1/s1
InChIKeyAEJLSHGZKVQGOA-HHHXNRCGSA-N
MW483.95 g/mol
LogP6.68
Rot. Bonds7

About [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate

[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate (PubChem CID 126187705) has the molecular formula C29H22ClNO4 and a molecular weight of 483.95 g/mol. Its IUPAC name is [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
PubChem CID126187705
Molecular FormulaC29H22ClNO4
Molecular Weight483.95 g/mol
Exact Mass483.12
IUPAC Name[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H22ClNO4/c1-19-7-9-22(10-8-19)28(33)31-25-17-13-23(14-18-25)29(34)35-27(21-5-3-2-4-6-21)26(32)20-11-15-24(30)16-12-20/h2-18,27H,1H3,(H,31,33)/t27-/m1/s1
InChIKeyAEJLSHGZKVQGOA-HHHXNRCGSA-N
XLogP6.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate with MolForge

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Related Compounds

[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126177869
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
CID 1217838
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3675096
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
CID 126184796
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126188262

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate (CID 126187705) is [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate is Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is AEJLSHGZKVQGOA-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H22ClNO4/c1-19-7-9-22(10-8-19)28(33)31-25-17-13-23(14-18-25)29(34)35-27(21-5-3-2-4-6-21)26(32)20-11-15-24(30)16-12-20/h2-18,27H,1H3,(H,31,33)/t27-/m1/s1.
What are the key properties of [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 483.95 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 126187705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).