N-(1-amino-2,2,2-trichloroethyl)acetamide

C4H7Cl3N2O — CID 20538829

IUPACN-(1-amino-2,2,2-trichloroethyl)acetamide
SMILESCC(=O)NC(N)C(Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3N2O/c1-2(10)9-3(8)4(5,6)7/h3H,8H2,1H3,(H,9,10)
InChIKeyPRBVJEXBGDJRPL-UHFFFAOYSA-N
MW205.47 g/mol
LogP0.78
Rot. Bonds1

About N-(1-amino-2,2,2-trichloroethyl)acetamide

N-(1-amino-2,2,2-trichloroethyl)acetamide (PubChem CID 20538829) has the molecular formula C4H7Cl3N2O and a molecular weight of 205.47 g/mol. Its IUPAC name is N-(1-amino-2,2,2-trichloroethyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,2,2-trichloroethyl)acetamide
PubChem CID20538829
Molecular FormulaC4H7Cl3N2O
Molecular Weight205.47 g/mol
Exact Mass203.96
IUPAC NameN-(1-amino-2,2,2-trichloroethyl)acetamide
SMILESCC(=O)NC(N)C(Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3N2O/c1-2(10)9-3(8)4(5,6)7/h3H,8H2,1H3,(H,9,10)
InChIKeyPRBVJEXBGDJRPL-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.47
LogP ≤ 50.78
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

N-(1,2,2,2-tetrachloroethyl)acetamide
CID 3773923
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
N-[(1S)-2,2,2-trichloro-1-diethoxyphosphorylethyl]acetamide
CID 2305152
N-(1-aminoprop-2-ynyl)acetamide
CID 140615276
N-[1-(hydroxyamino)ethyl]acetamide;molecular hydrogen
CID 142966371
N-[2,2,2-trichloro-1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]acetamide
CID 13471203
(2E,7Z)-N-(1-amino-2,2,2-trichloroethyl)-4-methylnona-2,7-dienamide
CID 139519211
ethyl (2R)-2-acetamido-4,4,4-trichloro-3-oxobutanoate
CID 2313183
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
N-[(1S)-1-amino-3-methylbutyl]acetamide
CID 58319717
2-acetamido-3,3-dimethylbutanoyl chloride
CID 130013927
2-acetamido-2-methoxyacetamide
CID 149161811

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,2,2-trichloroethyl)acetamide?
The IUPAC name of N-(1-amino-2,2,2-trichloroethyl)acetamide (CID 20538829) is N-(1-amino-2,2,2-trichloroethyl)acetamide.
What is the SMILES notation for N-(1-amino-2,2,2-trichloroethyl)acetamide?
The canonical SMILES for N-(1-amino-2,2,2-trichloroethyl)acetamide is CC(=O)NC(N)C(Cl)(Cl)Cl.
What is the InChIKey of N-(1-amino-2,2,2-trichloroethyl)acetamide?
The InChIKey is PRBVJEXBGDJRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl3N2O/c1-2(10)9-3(8)4(5,6)7/h3H,8H2,1H3,(H,9,10).
What are the key properties of N-(1-amino-2,2,2-trichloroethyl)acetamide?
N-(1-amino-2,2,2-trichloroethyl)acetamide has a molecular weight of 205.47 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,2,2-trichloroethyl)acetamide is sourced from PubChem (CID 20538829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).