4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide

C22H15ClN2O3 — CID 2226714

IUPAC4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C22H15ClN2O3/c1-13-6-9-15(10-7-13)24-20(26)14-8-11-18(23)19(12-14)25-21(27)16-4-2-3-5-17(16)22(25)28/h2-12H,1H3,(H,24,26)
InChIKeyBOHFREBXTCEHHE-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.70
Rot. Bonds3

About 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide

4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide (PubChem CID 2226714) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
PubChem CID2226714
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C22H15ClN2O3/c1-13-6-9-15(10-7-13)24-20(26)14-8-11-18(23)19(12-14)25-21(27)16-4-2-3-5-17(16)22(25)28/h2-12H,1H3,(H,24,26)
InChIKeyBOHFREBXTCEHHE-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)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

3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
CID 22781355
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
propan-2-yl 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzoate
CID 168516562
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-fluoro-4-methoxybenzamide
CID 78878772
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
2-[5-[(4-methylphenyl)carbamoyl]-2-piperidin-1-ylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 127040271
3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
CID 168516556
1-N,3-N-bis(4-acetylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzene-1,3-dicarboxamide
CID 1149114
2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517524

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide (CID 2226714) is 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide?
The InChIKey is BOHFREBXTCEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c1-13-6-9-15(10-7-13)24-20(26)14-8-11-18(23)19(12-14)25-21(27)16-4-2-3-5-17(16)22(25)28/h2-12H,1H3,(H,24,26).
What are the key properties of 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide?
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide has a molecular weight of 390.83 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 2226714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).