5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide

C11H10ClN3O3 — CID 110463812

IUPAC5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)NC2CC(=O)NC2=O)c1
InChIInChI=1S/C11H10ClN3O3/c12-7-2-1-5(13)3-6(7)10(17)14-8-4-9(16)15-11(8)18/h1-3,8H,4,13H2,(H,14,17)(H,15,16,18)
InChIKeyQOJMYWMUBWGUBB-UHFFFAOYSA-N
MW267.67 g/mol
LogP0.07
Rot. Bonds2

About 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide

5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide (PubChem CID 110463812) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide
PubChem CID110463812
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)NC2CC(=O)NC2=O)c1
InChIInChI=1S/C11H10ClN3O3/c12-7-2-1-5(13)3-6(7)10(17)14-8-4-9(16)15-11(8)18/h1-3,8H,4,13H2,(H,14,17)(H,15,16,18)
InChIKeyQOJMYWMUBWGUBB-UHFFFAOYSA-N
XLogP0.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485263
N-(2,5-dioxopyrrolidin-3-yl)-4-hydroxybenzamide
CID 110462643
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 110461600
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296597
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
CID 167770120
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide (CID 110463812) is 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide is Nc1ccc(Cl)c(C(=O)NC2CC(=O)NC2=O)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide?
The InChIKey is QOJMYWMUBWGUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-7-2-1-5(13)3-6(7)10(17)14-8-4-9(16)15-11(8)18/h1-3,8H,4,13H2,(H,14,17)(H,15,16,18).
What are the key properties of 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide?
5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide has a molecular weight of 267.67 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,5-dioxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110463812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).