5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one

C20H14ClNO — CID 122655598

IUPAC5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(Cl)cccc3-c3ccccc3)ccc2N1
InChIInChI=1S/C20H14ClNO/c21-17-8-4-7-16(13-5-2-1-3-6-13)20(17)14-9-10-18-15(11-14)12-19(23)22-18/h1-11H,12H2,(H,22,23)
InChIKeyQDMSOVCWMOKADM-UHFFFAOYSA-N
MW319.79 g/mol
LogP5.17
Rot. Bonds2

About 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one

5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one (PubChem CID 122655598) has the molecular formula C20H14ClNO and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
PubChem CID122655598
Molecular FormulaC20H14ClNO
Molecular Weight319.79 g/mol
Exact Mass319.08
IUPAC Name5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(Cl)cccc3-c3ccccc3)ccc2N1
InChIInChI=1S/C20H14ClNO/c21-17-8-4-7-16(13-5-2-1-3-6-13)20(17)14-9-10-18-15(11-14)12-19(23)22-18/h1-11H,12H2,(H,22,23)
InChIKeyQDMSOVCWMOKADM-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.79
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one (CID 122655598) is 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(Cl)cccc3-c3ccccc3)ccc2N1.
What is the InChIKey of 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is QDMSOVCWMOKADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO/c21-17-8-4-7-16(13-5-2-1-3-6-13)20(17)14-9-10-18-15(11-14)12-19(23)22-18/h1-11H,12H2,(H,22,23).
What are the key properties of 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one?
5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 319.79 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).