2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

C16H10Cl2N2O3 — CID 2070994

IUPAC2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C1=O
InChIInChI=1S/C16H10Cl2N2O3/c1-20-15(22)10-5-3-9(7-12(10)16(20)23)19-14(21)11-4-2-8(17)6-13(11)18/h2-7H,1H3,(H,19,21)
InChIKeyUHQWOTGEIOXRJO-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.47
Rot. Bonds2

About 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 2070994) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID2070994
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C1=O
InChIInChI=1S/C16H10Cl2N2O3/c1-20-15(22)10-5-3-9(7-12(10)16(20)23)19-14(21)11-4-2-8(17)6-13(11)18/h2-7H,1H3,(H,19,21)
InChIKeyUHQWOTGEIOXRJO-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 2070994) is 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is CN1C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C1=O.
What is the InChIKey of 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is UHQWOTGEIOXRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c1-20-15(22)10-5-3-9(7-12(10)16(20)23)19-14(21)11-4-2-8(17)6-13(11)18/h2-7H,1H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 349.17 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 2070994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).