2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione

C15H11ClN2O2 — CID 43345930

IUPAC2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1N)C2=O
InChIInChI=1S/C15H11ClN2O2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(16)3-5-12(13)17/h2-7H,17H2,1H3
InChIKeyYSVWOYQAALXJLQ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.03
Rot. Bonds1

About 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione

2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione (PubChem CID 43345930) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
PubChem CID43345930
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1N)C2=O
InChIInChI=1S/C15H11ClN2O2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(16)3-5-12(13)17/h2-7H,17H2,1H3
InChIKeyYSVWOYQAALXJLQ-UHFFFAOYSA-N
XLogP3.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 81274397
2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
CID 43345931
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
2-(4-amino-3-methoxyphenyl)-5-methylisoindole-1,3-dione
CID 61350557
1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione
CID 134879398
2-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
CID 43653732
1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione
CID 112557668
3-(5-methyl-1,3-dioxoisoindol-2-yl)thiophene-2-carboxylic acid
CID 43345969
2-(5-methyl-1,3-dioxoisoindol-2-yl)benzenecarbothioamide
CID 43345994
2-(5-amino-3-methyl-2-pyridinyl)-5-methylisoindole-1,3-dione
CID 115910819
2-(2-amino-5-chlorophenyl)-3-methyl-1H-pyrazol-5-one
CID 11287517

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione (CID 43345930) is 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1N)C2=O.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione?
The InChIKey is YSVWOYQAALXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(16)3-5-12(13)17/h2-7H,17H2,1H3.
What are the key properties of 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione?
2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione has a molecular weight of 286.72 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 43345930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).