2-(chloroamino)acetamide

C2H5ClN2O — CID 55284319

IUPAC2-(chloroamino)acetamide
SMILESNC(=O)CNCl
InChIInChI=1S/C2H5ClN2O/c3-5-1-2(4)6/h5H,1H2,(H2,4,6)
InChIKeyRBCIGRMUCLJCME-UHFFFAOYSA-N
MW108.53 g/mol
LogP-0.78
Rot. Bonds2

About 2-(chloroamino)acetamide

2-(chloroamino)acetamide (PubChem CID 55284319) has the molecular formula C2H5ClN2O and a molecular weight of 108.53 g/mol. Its IUPAC name is 2-(chloroamino)acetamide.

Molecular Properties

Compound Name2-(chloroamino)acetamide
PubChem CID55284319
Molecular FormulaC2H5ClN2O
Molecular Weight108.53 g/mol
Exact Mass108.01
IUPAC Name2-(chloroamino)acetamide
SMILESNC(=O)CNCl
InChIInChI=1S/C2H5ClN2O/c3-5-1-2(4)6/h5H,1H2,(H2,4,6)
InChIKeyRBCIGRMUCLJCME-UHFFFAOYSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.53
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)acetamide?
The IUPAC name of 2-(chloroamino)acetamide (CID 55284319) is 2-(chloroamino)acetamide.
What is the SMILES notation for 2-(chloroamino)acetamide?
The canonical SMILES for 2-(chloroamino)acetamide is NC(=O)CNCl.
What is the InChIKey of 2-(chloroamino)acetamide?
The InChIKey is RBCIGRMUCLJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClN2O/c3-5-1-2(4)6/h5H,1H2,(H2,4,6).
What are the key properties of 2-(chloroamino)acetamide?
2-(chloroamino)acetamide has a molecular weight of 108.53 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)acetamide is sourced from PubChem (CID 55284319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).