[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate

C19H18ClNO4 — CID 40579917

IUPAC[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
SMILESCCC(=O)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO4/c1-2-16(22)21-12-17(23)25-19(14-8-10-15(20)11-9-14)18(24)13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyZQOUGPXGYQIUBH-IBGZPJMESA-N
MW359.81 g/mol
LogP3.33
Rot. Bonds7

About [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate

[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate (PubChem CID 40579917) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
PubChem CID40579917
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
SMILESCCC(=O)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO4/c1-2-16(22)21-12-17(23)25-19(14-8-10-15(20)11-9-14)18(24)13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyZQOUGPXGYQIUBH-IBGZPJMESA-N
XLogP3.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40604182
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(thiophene-2-carbonylamino)acetate
CID 40729463
(2-oxo-1,2-diphenylethyl) 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030545
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-anilino-4-oxobutanoate
CID 126184580
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3675096
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-methylphenoxy)acetate
CID 4205916
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(2-phenylacetyl)amino]acetate
CID 3549856

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate?
The IUPAC name of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate (CID 40579917) is [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate is CCC(=O)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate?
The InChIKey is ZQOUGPXGYQIUBH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-2-16(22)21-12-17(23)25-19(14-8-10-15(20)11-9-14)18(24)13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate?
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate has a molecular weight of 359.81 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate is sourced from PubChem (CID 40579917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).