2-chloro-N-(propylcarbamoyl)acetamide

C6H11ClN2O2 — CID 2447349

IUPAC2-chloro-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-2-3-8-6(11)9-5(10)4-7/h2-4H2,1H3,(H2,8,9,10,11)
InChIKeyTYZOSFDFABEHHB-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.46
Rot. Bonds3

About 2-chloro-N-(propylcarbamoyl)acetamide

2-chloro-N-(propylcarbamoyl)acetamide (PubChem CID 2447349) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(propylcarbamoyl)acetamide
PubChem CID2447349
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-chloro-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-2-3-8-6(11)9-5(10)4-7/h2-4H2,1H3,(H2,8,9,10,11)
InChIKeyTYZOSFDFABEHHB-UHFFFAOYSA-N
XLogP0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(propylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(propylcarbamoyl)acetamide (CID 2447349) is 2-chloro-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(propylcarbamoyl)acetamide?
The InChIKey is TYZOSFDFABEHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-2-3-8-6(11)9-5(10)4-7/h2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-chloro-N-(propylcarbamoyl)acetamide?
2-chloro-N-(propylcarbamoyl)acetamide has a molecular weight of 178.62 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 2447349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).