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

C16H10Cl2N2O3 — CID 23735335

IUPAC2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
SMILESCN1C(=O)c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2C1=O
InChIInChI=1S/C16H10Cl2N2O3/c1-20-15(22)9-3-2-4-12(13(9)16(20)23)19-14(21)10-7-8(17)5-6-11(10)18/h2-7H,1H3,(H,19,21)
InChIKeyJJTBXHJPNHWABK-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.47
Rot. Bonds2

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

2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide (PubChem CID 23735335) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
PubChem CID23735335
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
SMILESCN1C(=O)c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2C1=O
InChIInChI=1S/C16H10Cl2N2O3/c1-20-15(22)9-3-2-4-12(13(9)16(20)23)19-14(21)10-7-8(17)5-6-11(10)18/h2-7H,1H3,(H,19,21)
InChIKeyJJTBXHJPNHWABK-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'}

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
CID 7157915
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-nitrobenzamide
CID 23904747
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725
4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
CID 7579477
2,5-dichloro-N-[2-(dimethylamino)phenyl]benzamide
CID 30886701
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
CID 47074120
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide (CID 23735335) is 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide is CN1C(=O)c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2C1=O.
What is the InChIKey of 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
The InChIKey is JJTBXHJPNHWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c1-20-15(22)9-3-2-4-12(13(9)16(20)23)19-14(21)10-7-8(17)5-6-11(10)18/h2-7H,1H3,(H,19,21).
What are the key properties of 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide?
2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-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 2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide is sourced from PubChem (CID 23735335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).