2-(2,4-dichlorophenyl)-3H-isoindol-1-one

C14H9Cl2NO — CID 842642

IUPAC2-(2,4-dichlorophenyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO/c15-10-5-6-13(12(16)7-10)17-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2
InChIKeyKCPTXMSOPQAJLG-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.15
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-3H-isoindol-1-one

2-(2,4-dichlorophenyl)-3H-isoindol-1-one (PubChem CID 842642) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3H-isoindol-1-one
PubChem CID842642
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name2-(2,4-dichlorophenyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO/c15-10-5-6-13(12(16)7-10)17-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2
InChIKeyKCPTXMSOPQAJLG-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diclofenac lactam
CID 27211
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
Phthalimide, N-(p-chlorophenyl)-
CID 81867
2-(4-Chlorophenyl)-1,2-benzisoselenazol-3(2H)-one
CID 368648
N-(4-Amino-2-chlorophenyl)phthalimide
CID 6603717
N-(3-Chlorophenyl)-phthalimide
CID 504333
5-chloro-2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 25266663
6-chloro-2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 25266667
2-(4-Methylphenyl)isoindolin-1-one
CID 2836108
2-Pyrrol4-[4-(2-chloro-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
CID 6425322
(2,5-Dichlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 783595
(2,4-Dichloro-phenyl)-(2,3-dihydro-indol-1-yl)-methanone
CID 819675

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3H-isoindol-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3H-isoindol-1-one (CID 842642) is 2-(2,4-dichlorophenyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3H-isoindol-1-one is O=C1c2ccccc2CN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3H-isoindol-1-one?
The InChIKey is KCPTXMSOPQAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-10-5-6-13(12(16)7-10)17-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3H-isoindol-1-one?
2-(2,4-dichlorophenyl)-3H-isoindol-1-one has a molecular weight of 278.14 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3H-isoindol-1-one is sourced from PubChem (CID 842642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).