N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide

C21H17FN2O — CID 112986182

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)cc1)c1cccc(F)c1
InChIInChI=1S/C21H17FN2O/c22-17-6-3-5-16(14-17)21(25)23-18-8-10-19(11-9-18)24-13-12-15-4-1-2-7-20(15)24/h1-11,14H,12-13H2,(H,23,25)
InChIKeyYLOBYDBREBAYOS-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.77
Rot. Bonds3

About N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide (PubChem CID 112986182) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
PubChem CID112986182
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)cc1)c1cccc(F)c1
InChIInChI=1S/C21H17FN2O/c22-17-6-3-5-16(14-17)21(25)23-18-8-10-19(11-9-18)24-13-12-15-4-1-2-7-20(15)24/h1-11,14H,12-13H2,(H,23,25)
InChIKeyYLOBYDBREBAYOS-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55731562
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479
3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957194
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
N-[5-(2,3-dihydroindol-1-yl)-2-formylphenyl]benzamide
CID 89335733
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide (CID 112986182) is N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide is O=C(Nc1ccc(N2CCc3ccccc32)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide?
The InChIKey is YLOBYDBREBAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-17-6-3-5-16(14-17)21(25)23-18-8-10-19(11-9-18)24-13-12-15-4-1-2-7-20(15)24/h1-11,14H,12-13H2,(H,23,25).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide has a molecular weight of 332.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 112986182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).