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

C4H7Cl2NO2 — CID 5228722

IUPAC2,2-dichloro-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(Cl)Cl
InChIInChI=1S/C4H7Cl2NO2/c5-3(6)4(9)7-1-2-8/h3,8H,1-2H2,(H,7,9)
InChIKeyJYWGZDGPDBDTAN-UHFFFAOYSA-N
MW172.01 g/mol
LogP-0.10
Rot. Bonds3

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

2,2-dichloro-N-(2-hydroxyethyl)acetamide (PubChem CID 5228722) has the molecular formula C4H7Cl2NO2 and a molecular weight of 172.01 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-hydroxyethyl)acetamide
PubChem CID5228722
Molecular FormulaC4H7Cl2NO2
Molecular Weight172.01 g/mol
Exact Mass170.99
IUPAC Name2,2-dichloro-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(Cl)Cl
InChIInChI=1S/C4H7Cl2NO2/c5-3(6)4(9)7-1-2-8/h3,8H,1-2H2,(H,7,9)
InChIKeyJYWGZDGPDBDTAN-UHFFFAOYSA-N
XLogP-0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.01
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-(hydroxymethyl)acetamide
CID 12832764
2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343
N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide
CID 20648240
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
CID 89382357
N,N'-bis(2-hydroxyethyl)-2,4-bis(sulfanyl)pentanediamide
CID 23104493
2-hydroxy-N-(2-hydroxyethyl)butanamide
CID 86250603
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
CID 87238089

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(2-hydroxyethyl)acetamide (CID 5228722) is 2,2-dichloro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(2-hydroxyethyl)acetamide is O=C(NCCO)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-hydroxyethyl)acetamide?
The InChIKey is JYWGZDGPDBDTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2NO2/c5-3(6)4(9)7-1-2-8/h3,8H,1-2H2,(H,7,9).
What are the key properties of 2,2-dichloro-N-(2-hydroxyethyl)acetamide?
2,2-dichloro-N-(2-hydroxyethyl)acetamide has a molecular weight of 172.01 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 5228722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).