2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone

C15H12FNO — CID 800771

IUPAC2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccc2c1NCC2
InChIInChI=1S/C15H12FNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-7,17H,8-9H2
InChIKeyGZHWCEDMTPIREV-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.02
Rot. Bonds2

About 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone

2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone (PubChem CID 800771) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone
PubChem CID800771
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccc2c1NCC2
InChIInChI=1S/C15H12FNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-7,17H,8-9H2
InChIKeyGZHWCEDMTPIREV-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone (CID 800771) is 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cccc2c1NCC2.
What is the InChIKey of 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone?
The InChIKey is GZHWCEDMTPIREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-7,17H,8-9H2.
What are the key properties of 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone?
2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone has a molecular weight of 241.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-7-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 800771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).