[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C20H19ClN2O3 — CID 2416759

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c21-16-8-5-14(6-9-16)11-23-19(24)13-26-20(25)10-7-15-12-22-18-4-2-1-3-17(15)18/h1-6,8-9,12,22H,7,10-11,13H2,(H,23,24)
InChIKeySTKFXIPBMAEQIZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.61
Rot. Bonds7

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2416759) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2416759
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c21-16-8-5-14(6-9-16)11-23-19(24)13-26-20(25)10-7-15-12-22-18-4-2-1-3-17(15)18/h1-6,8-9,12,22H,7,10-11,13H2,(H,23,24)
InChIKeySTKFXIPBMAEQIZ-UHFFFAOYSA-N
XLogP3.61
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2416759) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is STKFXIPBMAEQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-16-8-5-14(6-9-16)11-23-19(24)13-26-20(25)10-7-15-12-22-18-4-2-1-3-17(15)18/h1-6,8-9,12,22H,7,10-11,13H2,(H,23,24).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 370.84 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2416759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).