3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide

C17H16BrFN2O — CID 110620208

IUPAC3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
SMILESO=C(NCCN1CCc2ccccc21)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H16BrFN2O/c18-14-9-13(10-15(19)11-14)17(22)20-6-8-21-7-5-12-3-1-2-4-16(12)21/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyRBROETZIFKPBJA-UHFFFAOYSA-N
MW363.23 g/mol
LogP3.38
Rot. Bonds4

About 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide

3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide (PubChem CID 110620208) has the molecular formula C17H16BrFN2O and a molecular weight of 363.23 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
PubChem CID110620208
Molecular FormulaC17H16BrFN2O
Molecular Weight363.23 g/mol
Exact Mass362.04
IUPAC Name3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
SMILESO=C(NCCN1CCc2ccccc21)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H16BrFN2O/c18-14-9-13(10-15(19)11-14)17(22)20-6-8-21-7-5-12-3-1-2-4-16(12)21/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyRBROETZIFKPBJA-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 73052052
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62618338
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 74248010
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-methylsulfonylbenzamide
CID 51123507
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide (CID 110620208) is 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide is O=C(NCCN1CCc2ccccc21)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide?
The InChIKey is RBROETZIFKPBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O/c18-14-9-13(10-15(19)11-14)17(22)20-6-8-21-7-5-12-3-1-2-4-16(12)21/h1-4,9-11H,5-8H2,(H,20,22).
What are the key properties of 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide?
3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide has a molecular weight of 363.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide is sourced from PubChem (CID 110620208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).