3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide

C15H8Cl2N2O3 — CID 9324882

IUPAC3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2O3/c16-9-5-4-7(6-10(9)17)13(20)18-11-3-1-2-8-12(11)15(22)19-14(8)21/h1-6H,(H,18,20)(H,19,21,22)
InChIKeyMOQFMCLGYJFIOB-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.13
Rot. Bonds2

About 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide

3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide (PubChem CID 9324882) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
PubChem CID9324882
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2O3/c16-9-5-4-7(6-10(9)17)13(20)18-11-3-1-2-8-12(11)15(22)19-14(8)21/h1-6H,(H,18,20)(H,19,21,22)
InChIKeyMOQFMCLGYJFIOB-UHFFFAOYSA-N
XLogP3.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
CID 2428874
N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 167991021
N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
CID 2086901
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
3-(dimethylsulfamoyl)-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 2379537
5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide
CID 143568233
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide (CID 9324882) is 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide is O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
The InChIKey is MOQFMCLGYJFIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-9-5-4-7(6-10(9)17)13(20)18-11-3-1-2-8-12(11)15(22)19-14(8)21/h1-6H,(H,18,20)(H,19,21,22).
What are the key properties of 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide has a molecular weight of 335.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide is sourced from PubChem (CID 9324882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).