2,2,2-trichloro-N-(2-methoxyethyl)acetamide

C5H8Cl3NO2 — CID 4248140

IUPAC2,2,2-trichloro-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl3NO2/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyVZFXCTZXJWYDBJ-UHFFFAOYSA-N
MW220.48 g/mol
LogP1.12
Rot. Bonds3

About 2,2,2-trichloro-N-(2-methoxyethyl)acetamide

2,2,2-trichloro-N-(2-methoxyethyl)acetamide (PubChem CID 4248140) has the molecular formula C5H8Cl3NO2 and a molecular weight of 220.48 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-methoxyethyl)acetamide
PubChem CID4248140
Molecular FormulaC5H8Cl3NO2
Molecular Weight220.48 g/mol
Exact Mass218.96
IUPAC Name2,2,2-trichloro-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H8Cl3NO2/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyVZFXCTZXJWYDBJ-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.48
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2,2-trichloroacetyl)amino]ethyl 2,2,2-trichloroacetate
CID 2726052
2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
CID 87995485
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 166075571
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
CID 166075570
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
CID 177062288
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
N-(2-methoxyethyl)-2-oxoacetamide
CID 21031057

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-methoxyethyl)acetamide (CID 4248140) is 2,2,2-trichloro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-methoxyethyl)acetamide is COCCNC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(2-methoxyethyl)acetamide?
The InChIKey is VZFXCTZXJWYDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3NO2/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,2,2-trichloro-N-(2-methoxyethyl)acetamide?
2,2,2-trichloro-N-(2-methoxyethyl)acetamide has a molecular weight of 220.48 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 4248140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).