[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

C20H18Cl2N2O3 — CID 2434282

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESO=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H18Cl2N2O3/c21-15-7-4-9-17(20(15)22)24-18(25)12-27-19(26)10-3-5-13-11-23-16-8-2-1-6-14(13)16/h1-2,4,6-9,11,23H,3,5,10,12H2,(H,24,25)
InChIKeyMAQNZDOEFAMOIK-UHFFFAOYSA-N
MW405.28 g/mol
LogP4.98
Rot. Bonds7

About [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 2434282) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID2434282
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESO=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H18Cl2N2O3/c21-15-7-4-9-17(20(15)22)24-18(25)12-27-19(26)10-3-5-13-11-23-16-8-2-1-6-14(13)16/h1-2,4,6-9,11,23H,3,5,10,12H2,(H,24,25)
InChIKeyMAQNZDOEFAMOIK-UHFFFAOYSA-N
XLogP4.98
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate with MolForge

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 4175915
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 3485134
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7541618
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016765
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958497
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7662689
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (CID 2434282) is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is MAQNZDOEFAMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c21-15-7-4-9-17(20(15)22)24-18(25)12-27-19(26)10-3-5-13-11-23-16-8-2-1-6-14(13)16/h1-2,4,6-9,11,23H,3,5,10,12H2,(H,24,25).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 405.28 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 2434282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).