[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone

C21H14FNO — CID 134096101

IUPAC[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H14FNO/c22-18-7-9-19(10-8-18)23-13-12-16-14-17(6-11-20(16)23)21(24)15-4-2-1-3-5-15/h1-14H
InChIKeyCYBZDYCVECEOCI-UHFFFAOYSA-N
MW315.35 g/mol
LogP5.00
Rot. Bonds3

About [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone

[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone (PubChem CID 134096101) has the molecular formula C21H14FNO and a molecular weight of 315.35 g/mol. Its IUPAC name is [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
PubChem CID134096101
Molecular FormulaC21H14FNO
Molecular Weight315.35 g/mol
Exact Mass315.11
IUPAC Name[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H14FNO/c22-18-7-9-19(10-8-18)23-13-12-16-14-17(6-11-20(16)23)21(24)15-4-2-1-3-5-15/h1-14H
InChIKeyCYBZDYCVECEOCI-UHFFFAOYSA-N
XLogP5.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoroindol-1-yl)benzoic acid
CID 56689281
1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
CID 174703366
3-(5-fluoroindol-1-yl)benzoic acid
CID 18385061
(4-fluorophenyl)-phenylmethanone
CID 161464622
(4-fluorophenyl)-(1-methylindol-2-yl)methanone
CID 10377568
1-(4-carbamoylphenyl)indole-5-carboxylic acid
CID 59626065
phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
CID 118315223
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
[4-(5-fluoroindol-1-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 146199045
naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
CID 118315304
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
CID 156881349

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone?
The IUPAC name of [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone (CID 134096101) is [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1.
What is the InChIKey of [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone?
The InChIKey is CYBZDYCVECEOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO/c22-18-7-9-19(10-8-18)23-13-12-16-14-17(6-11-20(16)23)21(24)15-4-2-1-3-5-15/h1-14H.
What are the key properties of [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone?
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone has a molecular weight of 315.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)indol-5-yl]-phenylmethanone is sourced from PubChem (CID 134096101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).