sodium;2-chloroacetamide;hydride

C2H5ClNNaO — CID 175092720

IUPACsodium;2-chloroacetamide;hydride
SMILESNC(=O)CCl.[H-].[Na+]
InChIInChI=1S/C2H4ClNO.Na.H/c3-1-2(4)5;;/h1H2,(H2,4,5);;/q;+1;-1
InChIKeyMANFRKDKKQNIPP-UHFFFAOYSA-N
MW117.51 g/mol
LogP-3.17
Rot. Bonds1

About sodium;2-chloroacetamide;hydride

sodium;2-chloroacetamide;hydride (PubChem CID 175092720) has the molecular formula C2H5ClNNaO and a molecular weight of 117.51 g/mol. Its IUPAC name is sodium;2-chloroacetamide;hydride.

Molecular Properties

Compound Namesodium;2-chloroacetamide;hydride
PubChem CID175092720
Molecular FormulaC2H5ClNNaO
Molecular Weight117.51 g/mol
Exact Mass117.00
IUPAC Namesodium;2-chloroacetamide;hydride
SMILESNC(=O)CCl.[H-].[Na+]
InChIInChI=1S/C2H4ClNO.Na.H/c3-1-2(4)5;;/h1H2,(H2,4,5);;/q;+1;-1
InChIKeyMANFRKDKKQNIPP-UHFFFAOYSA-N
XLogP-3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.51
LogP ≤ 5-3.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;2-chloroacetamide
CID 87428505
sodium;hydride;2-iodoacetamide
CID 173298504
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
2-[(1-amino-2-chloroethylidene)amino]acetamide
CID 55291375
potassium;sodium;bis(2-chloroacetate)
CID 157286926
1,3-dichloropropan-2-one
CID 10793
propanediamide
CID 7911
sodium;but-3-enamide;hydride
CID 175440454
2-[(2-chloroacetyl)amino]oxyacetamide
CID 112673327
2-[(2-chloroacetyl)-methylamino]acetamide
CID 19981542
sodium;chloro 2-(2-chloroacetyl)oxyacetate;hydride
CID 174663738

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloroacetamide;hydride?
The IUPAC name of sodium;2-chloroacetamide;hydride (CID 175092720) is sodium;2-chloroacetamide;hydride.
What is the SMILES notation for sodium;2-chloroacetamide;hydride?
The canonical SMILES for sodium;2-chloroacetamide;hydride is NC(=O)CCl.[H-].[Na+].
What is the InChIKey of sodium;2-chloroacetamide;hydride?
The InChIKey is MANFRKDKKQNIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNO.Na.H/c3-1-2(4)5;;/h1H2,(H2,4,5);;/q;+1;-1.
What are the key properties of sodium;2-chloroacetamide;hydride?
sodium;2-chloroacetamide;hydride has a molecular weight of 117.51 g/mol, XLogP of -3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-chloroacetamide;hydride is sourced from PubChem (CID 175092720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).