2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide

C9H15ClN2O3 — CID 130892325

IUPAC2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide
SMILESCC1CC(NC(=O)NC(=O)CCl)C(C)O1
InChIInChI=1S/C9H15ClN2O3/c1-5-3-7(6(2)15-5)11-9(14)12-8(13)4-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyUEOFRJYYSGZXSU-UHFFFAOYSA-N
MW234.68 g/mol
LogP0.62
Rot. Bonds2

About 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide

2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide (PubChem CID 130892325) has the molecular formula C9H15ClN2O3 and a molecular weight of 234.68 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide
PubChem CID130892325
Molecular FormulaC9H15ClN2O3
Molecular Weight234.68 g/mol
Exact Mass234.08
IUPAC Name2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide
SMILESCC1CC(NC(=O)NC(=O)CCl)C(C)O1
InChIInChI=1S/C9H15ClN2O3/c1-5-3-7(6(2)15-5)11-9(14)12-8(13)4-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyUEOFRJYYSGZXSU-UHFFFAOYSA-N
XLogP0.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide (CID 130892325) is 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide is CC1CC(NC(=O)NC(=O)CCl)C(C)O1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide?
The InChIKey is UEOFRJYYSGZXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3/c1-5-3-7(6(2)15-5)11-9(14)12-8(13)4-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide?
2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide has a molecular weight of 234.68 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide is sourced from PubChem (CID 130892325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).