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

C15H9ClN2O3 — CID 9322151

IUPAC2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1ccccc1Cl
InChIInChI=1S/C15H9ClN2O3/c16-10-6-2-1-4-8(10)13(19)17-11-7-3-5-9-12(11)15(21)18-14(9)20/h1-7H,(H,17,19)(H,18,20,21)
InChIKeyORDHHBFNUDSLIT-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.48
Rot. Bonds2

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

2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide (PubChem CID 9322151) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
PubChem CID9322151
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)NC2=O)c1ccccc1Cl
InChIInChI=1S/C15H9ClN2O3/c16-10-6-2-1-4-8(10)13(19)17-11-7-3-5-9-12(11)15(21)18-14(9)20/h1-7H,(H,17,19)(H,18,20,21)
InChIKeyORDHHBFNUDSLIT-UHFFFAOYSA-N
XLogP2.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.48
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)pyridine-3-carboxamide
CID 2428874
3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9324882
N-(1,3-dioxoisoindol-4-yl)-2,4-dimethylbenzamide
CID 2086901
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide
CID 143568233
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide
CID 41340452
N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
CID 727482
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide
CID 142209593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide (CID 9322151) is 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide is O=C(Nc1cccc2c1C(=O)NC2=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
The InChIKey is ORDHHBFNUDSLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-10-6-2-1-4-8(10)13(19)17-11-7-3-5-9-12(11)15(21)18-14(9)20/h1-7H,(H,17,19)(H,18,20,21).
What are the key properties of 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide?
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide has a molecular weight of 300.70 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide is sourced from PubChem (CID 9322151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).