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

C17H17FN2O — CID 112501997

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCN1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c18-15-6-3-5-14(12-15)17(21)19-9-11-20-10-8-13-4-1-2-7-16(13)20/h1-7,12H,8-11H2,(H,19,21)
InChIKeySVYLBTCVJBJZPG-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.62
Rot. Bonds4

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

N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide (PubChem CID 112501997) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
PubChem CID112501997
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
SMILESO=C(NCCN1CCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c18-15-6-3-5-14(12-15)17(21)19-9-11-20-10-8-13-4-1-2-7-16(13)20/h1-7,12H,8-11H2,(H,19,21)
InChIKeySVYLBTCVJBJZPG-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-fluorobenzamide
CID 110620208
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62618338
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
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-methylsulfonylbenzamide
CID 51123507
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 74248010
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-phenylurea
CID 10171756
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide (CID 112501997) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide is O=C(NCCN1CCc2ccccc21)c1cccc(F)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide?
The InChIKey is SVYLBTCVJBJZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-6-3-5-14(12-15)17(21)19-9-11-20-10-8-13-4-1-2-7-16(13)20/h1-7,12H,8-11H2,(H,19,21).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 112501997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).