2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide

C11H11ClN2O3 — CID 43822721

IUPAC2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NC1CCOC1=O
InChIInChI=1S/C11H11ClN2O3/c12-6-1-2-7(8(13)5-6)10(15)14-9-3-4-17-11(9)16/h1-2,5,9H,3-4,13H2,(H,14,15)
InChIKeyGLZQDNBXPIMJCK-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide

2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide (PubChem CID 43822721) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
PubChem CID43822721
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NC1CCOC1=O
InChIInChI=1S/C11H11ClN2O3/c12-6-1-2-7(8(13)5-6)10(15)14-9-3-4-17-11(9)16/h1-2,5,9H,3-4,13H2,(H,14,15)
InChIKeyGLZQDNBXPIMJCK-UHFFFAOYSA-N
XLogP0.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide (CID 43822721) is 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide is Nc1cc(Cl)ccc1C(=O)NC1CCOC1=O.
What is the InChIKey of 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide?
The InChIKey is GLZQDNBXPIMJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-6-1-2-7(8(13)5-6)10(15)14-9-3-4-17-11(9)16/h1-2,5,9H,3-4,13H2,(H,14,15).
What are the key properties of 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide?
2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide has a molecular weight of 254.67 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide is sourced from PubChem (CID 43822721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).