1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one

C18H16FNO — CID 62025058

IUPAC1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one
SMILESCc1cn(CC(=O)Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C18H16FNO/c1-13-11-20(18-9-5-3-7-16(13)18)12-15(21)10-14-6-2-4-8-17(14)19/h2-9,11H,10,12H2,1H3
InChIKeyJRBHOGSOKILPMR-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one

1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one (PubChem CID 62025058) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one
PubChem CID62025058
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one
SMILESCc1cn(CC(=O)Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C18H16FNO/c1-13-11-20(18-9-5-3-7-16(13)18)12-15(21)10-14-6-2-4-8-17(14)19/h2-9,11H,10,12H2,1H3
InChIKeyJRBHOGSOKILPMR-UHFFFAOYSA-N
XLogP3.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82782618
(3-methylindol-1-yl)methanol
CID 54090827
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone
CID 63568121
3-[3-(2-fluorophenyl)-2-oxopropyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342676
1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 60892959
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 62045340
3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 55204651
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834544
N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
CID 49488611

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one (CID 62025058) is 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one is Cc1cn(CC(=O)Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one?
The InChIKey is JRBHOGSOKILPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-13-11-20(18-9-5-3-7-16(13)18)12-15(21)10-14-6-2-4-8-17(14)19/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one?
1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one has a molecular weight of 281.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-methylindol-1-yl)propan-2-one is sourced from PubChem (CID 62025058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).