N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide

C23H19ClN2O2 — CID 67974150

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O2/c24-18-8-11-22-21(14-18)17(15-26-22)12-13-25-23(27)16-6-9-20(10-7-16)28-19-4-2-1-3-5-19/h1-11,14-15,26H,12-13H2,(H,25,27)
InChIKeySPRKSPJSWOPKSP-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.59
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide (PubChem CID 67974150) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
PubChem CID67974150
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O2/c24-18-8-11-22-21(14-18)17(15-26-22)12-13-25-23(27)16-6-9-20(10-7-16)28-19-4-2-1-3-5-19/h1-11,14-15,26H,12-13H2,(H,25,27)
InChIKeySPRKSPJSWOPKSP-UHFFFAOYSA-N
XLogP5.59
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide (CID 67974150) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
The InChIKey is SPRKSPJSWOPKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-18-8-11-22-21(14-18)17(15-26-22)12-13-25-23(27)16-6-9-20(10-7-16)28-19-4-2-1-3-5-19/h1-11,14-15,26H,12-13H2,(H,25,27).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 67974150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).