2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

C18H17FN2O — CID 589075

IUPAC2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F
InChIInChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKeyUXRKUKRXVWJFER-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.59
Rot. Bonds4

About 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide

2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (PubChem CID 589075) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
PubChem CID589075
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F
InChIInChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKeyUXRKUKRXVWJFER-UHFFFAOYSA-N
XLogP3.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide 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 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide (CID 589075) is 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is UXRKUKRXVWJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide?
2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 296.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 589075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).