[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate

C24H22ClNO4 — CID 2496297

IUPAC[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate
SMILESCc1cc(C)cc(NC(=O)[C@H](OC(=O)COc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C24H22ClNO4/c1-16-12-17(2)14-20(13-16)26-24(28)23(18-6-4-3-5-7-18)30-22(27)15-29-21-10-8-19(25)9-11-21/h3-14,23H,15H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyPWBOOQRGKLAZEX-HSZRJFAPSA-N
MW423.90 g/mol
LogP5.26
Rot. Bonds7

About [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate

[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2496297) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2496297
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate
SMILESCc1cc(C)cc(NC(=O)[C@H](OC(=O)COc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C24H22ClNO4/c1-16-12-17(2)14-20(13-16)26-24(28)23(18-6-4-3-5-7-18)30-22(27)15-29-21-10-8-19(25)9-11-21/h3-14,23H,15H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyPWBOOQRGKLAZEX-HSZRJFAPSA-N
XLogP5.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 3681654
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7980213
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 2340275
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517587
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 7709793
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912968
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-chlorophenoxy)acetate
CID 7804009
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 8000726
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(3-chlorophenyl)prop-2-enoate
CID 3925600

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate (CID 2496297) is [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate is Cc1cc(C)cc(NC(=O)[C@H](OC(=O)COc2ccc(Cl)cc2)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is PWBOOQRGKLAZEX-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-16-12-17(2)14-20(13-16)26-24(28)23(18-6-4-3-5-7-18)30-22(27)15-29-21-10-8-19(25)9-11-21/h3-14,23H,15H2,1-2H3,(H,26,28)/t23-/m1/s1.
What are the key properties of [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate?
[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 423.90 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2496297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).