[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate

C23H19Cl2NO3 — CID 2343937

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H19Cl2NO3/c24-18-11-12-21(20(25)13-18)26-22(27)15-29-23(28)14-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19H,14-15H2,(H,26,27)
InChIKeyLHMSPMVGVVXOEE-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.70
Rot. Bonds7

About [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 2343937) has the molecular formula C23H19Cl2NO3 and a molecular weight of 428.32 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID2343937
Molecular FormulaC23H19Cl2NO3
Molecular Weight428.32 g/mol
Exact Mass427.07
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H19Cl2NO3/c24-18-11-12-21(20(25)13-18)26-22(27)15-29-23(28)14-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19H,14-15H2,(H,26,27)
InChIKeyLHMSPMVGVVXOEE-UHFFFAOYSA-N
XLogP5.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795375
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931151
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132905
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 2343937) is [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate is O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is LHMSPMVGVVXOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO3/c24-18-11-12-21(20(25)13-18)26-22(27)15-29-23(28)14-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19H,14-15H2,(H,26,27).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 428.32 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 2343937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).