5-chloro-1-methyl-3-phenyl-3H-indol-2-one

C15H12ClNO — CID 56690292

IUPAC5-chloro-1-methyl-3-phenyl-3H-indol-2-one
SMILESCN1C(=O)C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H12ClNO/c1-17-13-8-7-11(16)9-12(13)14(15(17)18)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyNHZLZEHWAVIWJX-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.45
Rot. Bonds1

About 5-chloro-1-methyl-3-phenyl-3H-indol-2-one

5-chloro-1-methyl-3-phenyl-3H-indol-2-one (PubChem CID 56690292) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3-phenyl-3H-indol-2-one
PubChem CID56690292
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name5-chloro-1-methyl-3-phenyl-3H-indol-2-one
SMILESCN1C(=O)C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H12ClNO/c1-17-13-8-7-11(16)9-12(13)14(15(17)18)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyNHZLZEHWAVIWJX-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-phenyl-3H-indol-2-one?
The IUPAC name of 5-chloro-1-methyl-3-phenyl-3H-indol-2-one (CID 56690292) is 5-chloro-1-methyl-3-phenyl-3H-indol-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3-phenyl-3H-indol-2-one?
The canonical SMILES for 5-chloro-1-methyl-3-phenyl-3H-indol-2-one is CN1C(=O)C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-3-phenyl-3H-indol-2-one?
The InChIKey is NHZLZEHWAVIWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-17-13-8-7-11(16)9-12(13)14(15(17)18)10-5-3-2-4-6-10/h2-9,14H,1H3.
What are the key properties of 5-chloro-1-methyl-3-phenyl-3H-indol-2-one?
5-chloro-1-methyl-3-phenyl-3H-indol-2-one has a molecular weight of 257.72 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 56690292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).