3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one

C16H13FINO — CID 138984759

IUPAC3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one
SMILESCN1C(=O)C(CI)(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H13FINO/c1-19-14-5-3-2-4-13(14)16(10-18,15(19)20)11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
InChIKeyCURUQDJRPJNLOQ-UHFFFAOYSA-N
MW381.19 g/mol
LogP3.52
Rot. Bonds2

About 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one

3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one (PubChem CID 138984759) has the molecular formula C16H13FINO and a molecular weight of 381.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one
PubChem CID138984759
Molecular FormulaC16H13FINO
Molecular Weight381.19 g/mol
Exact Mass381.00
IUPAC Name3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one
SMILESCN1C(=O)C(CI)(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H13FINO/c1-19-14-5-3-2-4-13(14)16(10-18,15(19)20)11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
InChIKeyCURUQDJRPJNLOQ-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 71606779
(1-methyl-2-oxo-3-phenylindol-3-yl)methyl thiocyanate
CID 135035463
(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 791129
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 2883376
(3S)-1-methyl-3-phenyl-3-[(2E,4E)-5-phenylpenta-2,4-dienyl]indol-2-one
CID 139051089
(3R)-3-fluoro-3-(2-fluorophenyl)-1-methylindol-2-one
CID 135062562
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
CID 157328720

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one?
The IUPAC name of 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one (CID 138984759) is 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one is CN1C(=O)C(CI)(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one?
The InChIKey is CURUQDJRPJNLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FINO/c1-19-14-5-3-2-4-13(14)16(10-18,15(19)20)11-6-8-12(17)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one?
3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one has a molecular weight of 381.19 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one is sourced from PubChem (CID 138984759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).