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

C23H19ClN2O2 — CID 67973697

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19ClN2O2/c24-18-9-10-22-21(14-18)17(15-26-22)11-12-25-23(27)16-5-4-8-20(13-16)28-19-6-2-1-3-7-19/h1-10,13-15,26H,11-12H2,(H,25,27)
InChIKeyUFCVTHHJWAJKHS-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.59
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide (PubChem CID 67973697) 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]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide
PubChem CID67973697
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H19ClN2O2/c24-18-9-10-22-21(14-18)17(15-26-22)11-12-25-23(27)16-5-4-8-20(13-16)28-19-6-2-1-3-7-19/h1-10,13-15,26H,11-12H2,(H,25,27)
InChIKeyUFCVTHHJWAJKHS-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]-3-phenoxybenzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide (CID 67973697) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide?
The InChIKey is UFCVTHHJWAJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-18-9-10-22-21(14-18)17(15-26-22)11-12-25-23(27)16-5-4-8-20(13-16)28-19-6-2-1-3-7-19/h1-10,13-15,26H,11-12H2,(H,25,27).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenoxybenzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-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]-3-phenoxybenzamide is sourced from PubChem (CID 67973697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).