4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione

C15H8Cl2N2O3 — CID 2420069

IUPAC4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(C(=O)c1cc(Cl)ccc1Cl)C2=O
InChIInChI=1S/C15H8Cl2N2O3/c16-7-4-5-10(17)9(6-7)14(21)19-13(20)8-2-1-3-11(18)12(8)15(19)22/h1-6H,18H2
InChIKeyZOQLHFDIDRKDNM-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.01
Rot. Bonds1

About 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione

4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione (PubChem CID 2420069) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione
PubChem CID2420069
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(C(=O)c1cc(Cl)ccc1Cl)C2=O
InChIInChI=1S/C15H8Cl2N2O3/c16-7-4-5-10(17)9(6-7)14(21)19-13(20)8-2-1-3-11(18)12(8)15(19)22/h1-6H,18H2
InChIKeyZOQLHFDIDRKDNM-UHFFFAOYSA-N
XLogP3.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)isoindole-1,3-dione
CID 2444664
4-(4-amino-1,3-dioxoisoindol-2-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993073
phenyl 4-amino-1,3-dioxoisoindole-2-carboxylate
CID 60630262
4-amino-2-(7-aminoheptanoyl)isoindole-1,3-dione
CID 43702480
4-amino-2-[(2S)-2-amino-3-methylbutanoyl]isoindole-1,3-dione
CID 61178517
4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione
CID 83073246
2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
CID 23735335
4-amino-2-[2-[(2-methylpropan-2-yl)oxy]acetyl]isoindole-1,3-dione
CID 115949870
1-amino-5-(2,5-dichlorophenyl)sulfanylanthracene-9,10-dione
CID 22759183
4-amino-2-(2-aminocyclohexanecarbonyl)isoindole-1,3-dione
CID 64822356
(3-amino-1,2,4-triazol-4-yl)-(2,5-dichlorophenyl)methanone
CID 895351
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione (CID 2420069) is 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione is Nc1cccc2c1C(=O)N(C(=O)c1cc(Cl)ccc1Cl)C2=O.
What is the InChIKey of 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione?
The InChIKey is ZOQLHFDIDRKDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-7-4-5-10(17)9(6-7)14(21)19-13(20)8-2-1-3-11(18)12(8)15(19)22/h1-6H,18H2.
What are the key properties of 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione?
4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione has a molecular weight of 335.15 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione is sourced from PubChem (CID 2420069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).