(1-benzylindol-3-yl)-(2-fluorophenyl)methanone

C22H16FNO — CID 974002

IUPAC(1-benzylindol-3-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C22H16FNO/c23-20-12-6-4-11-18(20)22(25)19-15-24(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2
InChIKeyALOUEMCFHLKHJL-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.06
Rot. Bonds4

About (1-benzylindol-3-yl)-(2-fluorophenyl)methanone

(1-benzylindol-3-yl)-(2-fluorophenyl)methanone (PubChem CID 974002) has the molecular formula C22H16FNO and a molecular weight of 329.37 g/mol. Its IUPAC name is (1-benzylindol-3-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-benzylindol-3-yl)-(2-fluorophenyl)methanone
PubChem CID974002
Molecular FormulaC22H16FNO
Molecular Weight329.37 g/mol
Exact Mass329.12
IUPAC Name(1-benzylindol-3-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C22H16FNO/c23-20-12-6-4-11-18(20)22(25)19-15-24(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2
InChIKeyALOUEMCFHLKHJL-UHFFFAOYSA-N
XLogP5.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-3-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (1-benzylindol-3-yl)-(2-fluorophenyl)methanone (CID 974002) is (1-benzylindol-3-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (1-benzylindol-3-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (1-benzylindol-3-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (1-benzylindol-3-yl)-(2-fluorophenyl)methanone?
The InChIKey is ALOUEMCFHLKHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO/c23-20-12-6-4-11-18(20)22(25)19-15-24(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2.
What are the key properties of (1-benzylindol-3-yl)-(2-fluorophenyl)methanone?
(1-benzylindol-3-yl)-(2-fluorophenyl)methanone has a molecular weight of 329.37 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-3-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 974002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).