2,2-dichloro-N-(hydroxymethyl)acetamide

C3H5Cl2NO2 — CID 12832764

IUPAC2,2-dichloro-N-(hydroxymethyl)acetamide
SMILESO=C(NCO)C(Cl)Cl
InChIInChI=1S/C3H5Cl2NO2/c4-2(5)3(8)6-1-7/h2,7H,1H2,(H,6,8)
InChIKeyVBYMXUAVVUKICP-UHFFFAOYSA-N
MW157.98 g/mol
LogP-0.14
Rot. Bonds2

About 2,2-dichloro-N-(hydroxymethyl)acetamide

2,2-dichloro-N-(hydroxymethyl)acetamide (PubChem CID 12832764) has the molecular formula C3H5Cl2NO2 and a molecular weight of 157.98 g/mol. Its IUPAC name is 2,2-dichloro-N-(hydroxymethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(hydroxymethyl)acetamide
PubChem CID12832764
Molecular FormulaC3H5Cl2NO2
Molecular Weight157.98 g/mol
Exact Mass156.97
IUPAC Name2,2-dichloro-N-(hydroxymethyl)acetamide
SMILESO=C(NCO)C(Cl)Cl
InChIInChI=1S/C3H5Cl2NO2/c4-2(5)3(8)6-1-7/h2,7H,1H2,(H,6,8)
InChIKeyVBYMXUAVVUKICP-UHFFFAOYSA-N
XLogP-0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.98
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
2,3-dihydroxy-N,N'-bis(hydroxymethyl)butanediamide
CID 5088002
2,2-dichloro-N-hydroxyacetamide
CID 59715454
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
N-(hydroxymethyl)carbamoyl chloride;hydrate
CID 173432235
3-[2-[bis[2-hydroxy-3-(hydroxymethylamino)-3-oxopropyl]amino]ethyl-[2-hydroxy-3-(hydroxymethylamino)-3-oxopropyl]amino]-2-hydroxy-N-(hydroxymethyl)propanamide
CID 165341281
1,3-bis(hydroxymethyl)urea;hydrate
CID 139703272
(hydroxymethylcarbamoylamino)methylphosphanium chloride
CID 157403401
(2,2-dichloroacetyl)carbamothioic S-acid
CID 91420087
2,2-dichloro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]acetamide
CID 108574831
methyl (2S)-2-amino-6-[(2,2-dichloroacetyl)amino]hexanoate
CID 132968892

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(hydroxymethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(hydroxymethyl)acetamide (CID 12832764) is 2,2-dichloro-N-(hydroxymethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(hydroxymethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(hydroxymethyl)acetamide is O=C(NCO)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(hydroxymethyl)acetamide?
The InChIKey is VBYMXUAVVUKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2NO2/c4-2(5)3(8)6-1-7/h2,7H,1H2,(H,6,8).
What are the key properties of 2,2-dichloro-N-(hydroxymethyl)acetamide?
2,2-dichloro-N-(hydroxymethyl)acetamide has a molecular weight of 157.98 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(hydroxymethyl)acetamide is sourced from PubChem (CID 12832764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).