2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide

C22H13Cl2IN2O3 — CID 124544627

IUPAC2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1I
InChIInChI=1S/C22H13Cl2IN2O3/c23-13-9-10-16(17(24)11-13)22(30)26(19-8-4-3-7-18(19)25)12-27-20(28)14-5-1-2-6-15(14)21(27)29/h1-11H,12H2
InChIKeyUXCHLHKKQVQWOV-UHFFFAOYSA-N
MW551.17 g/mol
LogP5.50
Rot. Bonds4

About 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide

2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide (PubChem CID 124544627) has the molecular formula C22H13Cl2IN2O3 and a molecular weight of 551.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide
PubChem CID124544627
Molecular FormulaC22H13Cl2IN2O3
Molecular Weight551.17 g/mol
Exact Mass549.93
IUPAC Name2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1I
InChIInChI=1S/C22H13Cl2IN2O3/c23-13-9-10-16(17(24)11-13)22(30)26(19-8-4-3-7-18(19)25)12-27-20(28)14-5-1-2-6-15(14)21(27)29/h1-11H,12H2
InChIKeyUXCHLHKKQVQWOV-UHFFFAOYSA-N
XLogP5.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.17
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

2-amino-5-chloro-N-ethyl-N-(2-iodophenyl)benzamide
CID 11384038
2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 1283831
N-(4-bromo-2-methylphenyl)-2,4-dichloro-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]benzamide
CID 19646516
4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
CID 4223086
ethyl 4-[(2-chlorobenzoyl)-[(1,3-dioxoisoindol-2-yl)methyl]amino]benzoate
CID 3959049
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 2332485
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 4262657
2-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 91136158
4-chloro-2-[(1,3-dioxoisoindol-2-yl)methoxy]benzoic acid
CID 134093288
2,4-dichloro-N-(2-methoxyethyl)-N-(2-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)benzamide
CID 91426736
2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide
CID 2342263

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide (CID 124544627) is 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide is O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1I.
What is the InChIKey of 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide?
The InChIKey is UXCHLHKKQVQWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2IN2O3/c23-13-9-10-16(17(24)11-13)22(30)26(19-8-4-3-7-18(19)25)12-27-20(28)14-5-1-2-6-15(14)21(27)29/h1-11H,12H2.
What are the key properties of 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide?
2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide has a molecular weight of 551.17 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 124544627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).