5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one

C16H13ClFNO — CID 61085194

IUPAC5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3ccccc3F)ccc21
InChIInChI=1S/C16H13ClFNO/c1-19-14-7-6-10(8-11(14)9-15(19)20)16(17)12-4-2-3-5-13(12)18/h2-8,16H,9H2,1H3
InChIKeyAKKDKIWNMPFDLU-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.67
Rot. Bonds2

About 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one

5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 61085194) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
PubChem CID61085194
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3ccccc3F)ccc21
InChIInChI=1S/C16H13ClFNO/c1-19-14-7-6-10(8-11(14)9-15(19)20)16(17)12-4-2-3-5-13(12)18/h2-8,16H,9H2,1H3
InChIKeyAKKDKIWNMPFDLU-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 81481123
5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61084786
5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61083787
5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 107964509
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[chloro-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085613
5-[bromo-(2-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098949
5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119610
5-[bromo-(2-chloro-6-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61097941
5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 81479753
5-[amino-(2-iodophenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119567
5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 61086222

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one (CID 61085194) is 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(Cl)c3ccccc3F)ccc21.
What is the InChIKey of 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is AKKDKIWNMPFDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-19-14-7-6-10(8-11(14)9-15(19)20)16(17)12-4-2-3-5-13(12)18/h2-8,16H,9H2,1H3.
What are the key properties of 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one?
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 289.74 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61085194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).