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

C24H18ClN3O — CID 67973354

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H18ClN3O/c25-20-8-9-23-22(13-20)19(15-28-23)10-11-27-24(29)17-6-3-5-16(12-17)21-7-2-1-4-18(21)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)
InChIKeyXPHZEKIXYBLCLZ-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.33
Rot. Bonds5

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide (PubChem CID 67973354) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide
PubChem CID67973354
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H18ClN3O/c25-20-8-9-23-22(13-20)19(15-28-23)10-11-27-24(29)17-6-3-5-16(12-17)21-7-2-1-4-18(21)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)
InChIKeyXPHZEKIXYBLCLZ-UHFFFAOYSA-N
XLogP5.33
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.33
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-(2-cyanophenyl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide (CID 67973354) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide is N#Cc1ccccc1-c1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide?
The InChIKey is XPHZEKIXYBLCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c25-20-8-9-23-22(13-20)19(15-28-23)10-11-27-24(29)17-6-3-5-16(12-17)21-7-2-1-4-18(21)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-cyanophenyl)benzamide has a molecular weight of 399.88 g/mol, XLogP of 5.33, 5 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-(2-cyanophenyl)benzamide is sourced from PubChem (CID 67973354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).