2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide

C15H14FN3 — CID 55234312

IUPAC2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCc2ccccc21
InChIInChI=1S/C15H14FN3/c16-11-5-6-14(12(9-11)15(17)18)19-8-7-10-3-1-2-4-13(10)19/h1-6,9H,7-8H2,(H3,17,18)
InChIKeyQBGXDXCOKOKZTF-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.80
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide

2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide (PubChem CID 55234312) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
PubChem CID55234312
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCc2ccccc21
InChIInChI=1S/C15H14FN3/c16-11-5-6-14(12(9-11)15(17)18)19-8-7-10-3-1-2-4-13(10)19/h1-6,9H,7-8H2,(H3,17,18)
InChIKeyQBGXDXCOKOKZTF-UHFFFAOYSA-N
XLogP2.80
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide (CID 55234312) is 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide?
The InChIKey is QBGXDXCOKOKZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-11-5-6-14(12(9-11)15(17)18)19-8-7-10-3-1-2-4-13(10)19/h1-6,9H,7-8H2,(H3,17,18).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide?
2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide has a molecular weight of 255.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 55234312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).