2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide

C4H6ClN3O3 — CID 174458873

IUPAC2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide
SMILESNC(=O)C(=NO)NC(=O)CCl
InChIInChI=1S/C4H6ClN3O3/c5-1-2(9)7-4(8-11)3(6)10/h11H,1H2,(H2,6,10)(H,7,8,9)
InChIKeyRYYCGCFOFHGDBZ-UHFFFAOYSA-N
MW179.56 g/mol
LogP-1.39
Rot. Bonds1

About 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide

2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide (PubChem CID 174458873) has the molecular formula C4H6ClN3O3 and a molecular weight of 179.56 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide
PubChem CID174458873
Molecular FormulaC4H6ClN3O3
Molecular Weight179.56 g/mol
Exact Mass179.01
IUPAC Name2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide
SMILESNC(=O)C(=NO)NC(=O)CCl
InChIInChI=1S/C4H6ClN3O3/c5-1-2(9)7-4(8-11)3(6)10/h11H,1H2,(H2,6,10)(H,7,8,9)
InChIKeyRYYCGCFOFHGDBZ-UHFFFAOYSA-N
XLogP-1.39
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.56
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide (CID 174458873) is 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide is NC(=O)C(=NO)NC(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide?
The InChIKey is RYYCGCFOFHGDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O3/c5-1-2(9)7-4(8-11)3(6)10/h11H,1H2,(H2,6,10)(H,7,8,9).
What are the key properties of 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide?
2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide has a molecular weight of 179.56 g/mol, XLogP of -1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-2-hydroxyiminoacetamide is sourced from PubChem (CID 174458873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).