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

C19H18FNO — CID 170857242

IUPAC(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
SMILESCC(C)Cn1cc(C(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FNO/c1-13(2)11-21-12-17(16-8-3-4-9-18(16)21)19(22)14-6-5-7-15(20)10-14/h3-10,12-13H,11H2,1-2H3
InChIKeySJTGXCYHQRRCHK-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.67
Rot. Bonds4

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

(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone (PubChem CID 170857242) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
PubChem CID170857242
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
SMILESCC(C)Cn1cc(C(=O)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FNO/c1-13(2)11-21-12-17(16-8-3-4-9-18(16)21)19(22)14-6-5-7-15(20)10-14/h3-10,12-13H,11H2,1-2H3
InChIKeySJTGXCYHQRRCHK-UHFFFAOYSA-N
XLogP4.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-butan-2-ylindol-3-yl)-(3-fluorophenyl)methanone
CID 170857227
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
CID 87020117
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 134811800
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 132989243
(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
CID 170857303
6-(2-fluorophenyl)-1-(2-methylpropyl)indole-3-carboxylic acid
CID 172674811
N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 87036364

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone (CID 170857242) is (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone is CC(C)Cn1cc(C(=O)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The InChIKey is SJTGXCYHQRRCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-13(2)11-21-12-17(16-8-3-4-9-18(16)21)19(22)14-6-5-7-15(20)10-14/h3-10,12-13H,11H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone?
(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone has a molecular weight of 295.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone is sourced from PubChem (CID 170857242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).