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

C22H16FNO — CID 963177

IUPAC[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H16FNO/c23-18-12-10-16(11-13-18)14-24-15-20(19-8-4-5-9-21(19)24)22(25)17-6-2-1-3-7-17/h1-13,15H,14H2
InChIKeyBHAQFIANQJHKGU-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.06
Rot. Bonds4

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

[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone (PubChem CID 963177) has the molecular formula C22H16FNO and a molecular weight of 329.37 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
PubChem CID963177
Molecular FormulaC22H16FNO
Molecular Weight329.37 g/mol
Exact Mass329.12
IUPAC Name[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H16FNO/c23-18-12-10-16(11-13-18)14-24-15-20(19-8-4-5-9-21(19)24)22(25)17-6-2-1-3-7-17/h1-13,15H,14H2
InChIKeyBHAQFIANQJHKGU-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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Related Compounds

[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
(Z)-4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 11695776
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
(2Z,5E)-6-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
CID 73334597
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 170857357
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 134811800
1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
CID 164961814

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone (CID 963177) is [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone is O=C(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
The InChIKey is BHAQFIANQJHKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO/c23-18-12-10-16(11-13-18)14-24-15-20(19-8-4-5-9-21(19)24)22(25)17-6-2-1-3-7-17/h1-13,15H,14H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone?
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone 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-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 963177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).