(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone

C22H15F2NO — CID 2227984

IUPAC(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone
SMILESO=C(c1ccccc1F)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H15F2NO/c23-16-11-9-15(10-12-16)13-25-14-19(17-5-2-4-8-21(17)25)22(26)18-6-1-3-7-20(18)24/h1-12,14H,13H2
InChIKeyQNTKXDMLFSMERD-UHFFFAOYSA-N
MW347.36 g/mol
LogP5.20
Rot. Bonds4

About (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone

(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone (PubChem CID 2227984) has the molecular formula C22H15F2NO and a molecular weight of 347.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone
PubChem CID2227984
Molecular FormulaC22H15F2NO
Molecular Weight347.36 g/mol
Exact Mass347.11
IUPAC Name(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone
SMILESO=C(c1ccccc1F)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H15F2NO/c23-16-11-9-15(10-12-16)13-25-14-19(17-5-2-4-8-21(17)25)22(26)18-6-1-3-7-20(18)24/h1-12,14H,13H2
InChIKeyQNTKXDMLFSMERD-UHFFFAOYSA-N
XLogP5.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone (CID 2227984) is (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone is O=C(c1ccccc1F)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone?
The InChIKey is QNTKXDMLFSMERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO/c23-16-11-9-15(10-12-16)13-25-14-19(17-5-2-4-8-21(17)25)22(26)18-6-1-3-7-20(18)24/h1-12,14H,13H2.
What are the key properties of (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone?
(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone has a molecular weight of 347.36 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 2227984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).