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

C24H22ClNO4 — CID 2092525

IUPAC[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
SMILESCCOc1ccccc1NC(=O)[C@H](OC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H22ClNO4/c1-2-29-21-11-7-6-10-20(21)26-24(28)23(18-8-4-3-5-9-18)30-22(27)16-17-12-14-19(25)15-13-17/h3-15,23H,2,16H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyRDBXZSZJPBRJQS-HSZRJFAPSA-N
MW423.90 g/mol
LogP5.20
Rot. Bonds8

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

[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2092525) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
PubChem CID2092525
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
SMILESCCOc1ccccc1NC(=O)[C@H](OC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H22ClNO4/c1-2-29-21-11-7-6-10-20(21)26-24(28)23(18-8-4-3-5-9-18)30-22(27)16-17-12-14-19(25)15-13-17/h3-15,23H,2,16H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyRDBXZSZJPBRJQS-HSZRJFAPSA-N
XLogP5.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537822
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7587707
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3,5-dichlorobenzoate
CID 16568840
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644172
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449610
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 46791499
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-bromo-2-fluorobenzoate
CID 46797013
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate (CID 2092525) is [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate is CCOc1ccccc1NC(=O)[C@H](OC(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is RDBXZSZJPBRJQS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-2-29-21-11-7-6-10-20(21)26-24(28)23(18-8-4-3-5-9-18)30-22(27)16-17-12-14-19(25)15-13-17/h3-15,23H,2,16H2,1H3,(H,26,28)/t23-/m1/s1.
What are the key properties of [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate?
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 423.90 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2092525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).