N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide

C15H8BrClN2O3 — CID 4548391

IUPACN-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide
SMILESO=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8BrClN2O3/c16-9-3-6-11-12(7-9)15(22)19(14(11)21)18-13(20)8-1-4-10(17)5-2-8/h1-7H,(H,18,20)
InChIKeyAULKDOQEWZTWLM-UHFFFAOYSA-N
MW379.60 g/mol
LogP3.04
Rot. Bonds2

About N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide

N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide (PubChem CID 4548391) has the molecular formula C15H8BrClN2O3 and a molecular weight of 379.60 g/mol. Its IUPAC name is N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide
PubChem CID4548391
Molecular FormulaC15H8BrClN2O3
Molecular Weight379.60 g/mol
Exact Mass377.94
IUPAC NameN-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide
SMILESO=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8BrClN2O3/c16-9-3-6-11-12(7-9)15(22)19(14(11)21)18-13(20)8-1-4-10(17)5-2-8/h1-7H,(H,18,20)
InChIKeyAULKDOQEWZTWLM-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.60
LogP ≤ 53.04
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

4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
CID 2834281
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30425605
4-[2-[(4-methylbenzoyl)amino]-1,3-dioxoisoindol-5-yl]sulfonylbenzoate
CID 6982340
4-bromo-N-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzamide
CID 3440284
N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-chlorobenzamide
CID 27904607
4-bromo-N-[6-chloro-2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18886973
N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide
CID 159184184
4-chloro-N-hydroxybenzamide
CID 587178
N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 27605076
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]propanamide
CID 112818214
4-chloro-N-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzamide
CID 98214634

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide (CID 4548391) is N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide is O=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide?
The InChIKey is AULKDOQEWZTWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClN2O3/c16-9-3-6-11-12(7-9)15(22)19(14(11)21)18-13(20)8-1-4-10(17)5-2-8/h1-7H,(H,18,20).
What are the key properties of N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide?
N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide has a molecular weight of 379.60 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 4548391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).