N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide

C10H5ClN2O4 — CID 88648969

IUPACN-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide
SMILESO=C(NCl)C(=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H5ClN2O4/c11-12-7(14)10(17)13-8(15)5-3-1-2-4-6(5)9(13)16/h1-4H,(H,12,14)
InChIKeyFUTURIYLUXOGKB-UHFFFAOYSA-N
MW252.61 g/mol
LogP0.08
Rot. Bonds

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

N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide (PubChem CID 88648969) has the molecular formula C10H5ClN2O4 and a molecular weight of 252.61 g/mol. Its IUPAC name is N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide
PubChem CID88648969
Molecular FormulaC10H5ClN2O4
Molecular Weight252.61 g/mol
Exact Mass251.99
IUPAC NameN-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide
SMILESO=C(NCl)C(=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H5ClN2O4/c11-12-7(14)10(17)13-8(15)5-3-1-2-4-6(5)9(13)16/h1-4H,(H,12,14)
InChIKeyFUTURIYLUXOGKB-UHFFFAOYSA-N
XLogP0.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.61
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 66974961
CID 66974961
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
CID 23374871
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
2-hydroxyisoindole-1,3-dione
CID 66775726
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(pyridine-4-carbonyl)isoindole-1,3-dione
CID 156600138
2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione
CID 134831051
2-amino-3-(1,3-dioxoisoindol-2-yl)-3-oxopropane-1-sulfonic acid
CID 175438785
methyl (Z)-2-(1,3-dioxoisoindol-2-yl)-3-methoxyprop-2-enoate
CID 820208

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide?
The IUPAC name of N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide (CID 88648969) is N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide is O=C(NCl)C(=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide?
The InChIKey is FUTURIYLUXOGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O4/c11-12-7(14)10(17)13-8(15)5-3-1-2-4-6(5)9(13)16/h1-4H,(H,12,14).
What are the key properties of N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide?
N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide has a molecular weight of 252.61 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 88648969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).