[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate

C19H16Cl2N2O3 — CID 40680707

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESO=C(COC(=O)CCn1ccc2ccccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O3/c20-14-5-3-6-15(19(14)21)22-17(24)12-26-18(25)9-11-23-10-8-13-4-1-2-7-16(13)23/h1-8,10H,9,11-12H2,(H,22,24)
InChIKeyJYZSWYVEAFKVRE-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.52
Rot. Bonds6

About [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate (PubChem CID 40680707) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate
PubChem CID40680707
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESO=C(COC(=O)CCn1ccc2ccccc21)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O3/c20-14-5-3-6-15(19(14)21)22-17(24)12-26-18(25)9-11-23-10-8-13-4-1-2-7-16(13)23/h1-8,10H,9,11-12H2,(H,22,24)
InChIKeyJYZSWYVEAFKVRE-UHFFFAOYSA-N
XLogP4.52
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate 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

N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
CID 84554858
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
CID 17258736
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701724
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate
CID 40667880
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065484
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602839
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609856
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212949
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2400883

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate (CID 40680707) is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate is O=C(COC(=O)CCn1ccc2ccccc21)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate?
The InChIKey is JYZSWYVEAFKVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c20-14-5-3-6-15(19(14)21)22-17(24)12-26-18(25)9-11-23-10-8-13-4-1-2-7-16(13)23/h1-8,10H,9,11-12H2,(H,22,24).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate has a molecular weight of 391.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-indol-1-ylpropanoate is sourced from PubChem (CID 40680707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).