5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one

C17H15ClFNO — CID 61084983

IUPAC5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H15ClFNO/c1-20-16-7-4-12(9-13(16)10-17(20)21)15(18)8-11-2-5-14(19)6-3-11/h2-7,9,15H,8,10H2,1H3
InChIKeyWOJDPYNQSZLXCX-UHFFFAOYSA-N
MW303.76 g/mol
LogP3.87
Rot. Bonds3

About 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one

5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one (PubChem CID 61084983) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
PubChem CID61084983
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H15ClFNO/c1-20-16-7-4-12(9-13(16)10-17(20)21)15(18)8-11-2-5-14(19)6-3-11/h2-7,9,15H,8,10H2,1H3
InChIKeyWOJDPYNQSZLXCX-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one (CID 61084983) is 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(Cl)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
The InChIKey is WOJDPYNQSZLXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-20-16-7-4-12(9-13(16)10-17(20)21)15(18)8-11-2-5-14(19)6-3-11/h2-7,9,15H,8,10H2,1H3.
What are the key properties of 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one has a molecular weight of 303.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61084983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).