2,2-dichloro-N-hydroxyacetamide

C2H3Cl2NO2 — CID 59715454

IUPAC2,2-dichloro-N-hydroxyacetamide
SMILESO=C(NO)C(Cl)Cl
InChIInChI=1S/C2H3Cl2NO2/c3-1(4)2(6)5-7/h1,7H,(H,5,6)
InChIKeyTWAKPFWFSAPFFQ-UHFFFAOYSA-N
MW143.96 g/mol
LogP0.30
Rot. Bonds1

About 2,2-dichloro-N-hydroxyacetamide

2,2-dichloro-N-hydroxyacetamide (PubChem CID 59715454) has the molecular formula C2H3Cl2NO2 and a molecular weight of 143.96 g/mol. Its IUPAC name is 2,2-dichloro-N-hydroxyacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-hydroxyacetamide
PubChem CID59715454
Molecular FormulaC2H3Cl2NO2
Molecular Weight143.96 g/mol
Exact Mass142.95
IUPAC Name2,2-dichloro-N-hydroxyacetamide
SMILESO=C(NO)C(Cl)Cl
InChIInChI=1S/C2H3Cl2NO2/c3-1(4)2(6)5-7/h1,7H,(H,5,6)
InChIKeyTWAKPFWFSAPFFQ-UHFFFAOYSA-N
XLogP0.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.96
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dichloroacetyl)carbamothioic S-acid
CID 91420087
2,2-dichloro-N-(hydroxymethyl)acetamide
CID 12832764
2,2-dichloro-N-(1,1-dihydroxypropyl)acetamide
CID 139215553
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
[1-(hydroxyamino)-1-oxopropan-2-yl]azanium
CID 78443389
N-hydroxy-2-sulfanylpropanamide
CID 20542834
(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride
CID 46919266
N,2,3-trihydroxypropanamide
CID 91129165
(2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
CID 44630224
2,2-dichloro-N',N'-diethylacetohydrazide
CID 174663209
2,2-dichloro-N-piperidin-1-ylacetamide
CID 17164475
methyl 2-[(2,2-dichloroacetyl)amino]prop-2-enoate
CID 15877222

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-hydroxyacetamide?
The IUPAC name of 2,2-dichloro-N-hydroxyacetamide (CID 59715454) is 2,2-dichloro-N-hydroxyacetamide.
What is the SMILES notation for 2,2-dichloro-N-hydroxyacetamide?
The canonical SMILES for 2,2-dichloro-N-hydroxyacetamide is O=C(NO)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-hydroxyacetamide?
The InChIKey is TWAKPFWFSAPFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl2NO2/c3-1(4)2(6)5-7/h1,7H,(H,5,6).
What are the key properties of 2,2-dichloro-N-hydroxyacetamide?
2,2-dichloro-N-hydroxyacetamide has a molecular weight of 143.96 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-hydroxyacetamide is sourced from PubChem (CID 59715454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).