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

C18H17ClN2O — CID 4715062

IUPACN-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O/c1-12(22)20-10-9-15-16-11-14(19)7-8-17(16)21-18(15)13-5-3-2-4-6-13/h2-8,11,21H,9-10H2,1H3,(H,20,22)
InChIKeyUBSDEWQGOFSFGK-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.17
Rot. Bonds4

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

N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 4715062) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID4715062
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H17ClN2O/c1-12(22)20-10-9-15-16-11-14(19)7-8-17(16)21-18(15)13-5-3-2-4-6-13/h2-8,11,21H,9-10H2,1H3,(H,20,22)
InChIKeyUBSDEWQGOFSFGK-UHFFFAOYSA-N
XLogP4.17
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide (CID 4715062) is N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is UBSDEWQGOFSFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12(22)20-10-9-15-16-11-14(19)7-8-17(16)21-18(15)13-5-3-2-4-6-13/h2-8,11,21H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 312.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4715062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).