2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide

C4H6ClF3N2O — CID 118369505

IUPAC2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCl)NCC(F)(F)F
InChIInChI=1S/C4H6ClF3N2O/c5-10-1-3(11)9-2-4(6,7)8/h10H,1-2H2,(H,9,11)
InChIKeyGZGWJZZZCJQPRS-UHFFFAOYSA-N
MW190.55 g/mol
LogP0.41
Rot. Bonds3

About 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 118369505) has the molecular formula C4H6ClF3N2O and a molecular weight of 190.55 g/mol. Its IUPAC name is 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID118369505
Molecular FormulaC4H6ClF3N2O
Molecular Weight190.55 g/mol
Exact Mass190.01
IUPAC Name2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCl)NCC(F)(F)F
InChIInChI=1S/C4H6ClF3N2O/c5-10-1-3(11)9-2-4(6,7)8/h10H,1-2H2,(H,9,11)
InChIKeyGZGWJZZZCJQPRS-UHFFFAOYSA-N
XLogP0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.55
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
N'-(2,2,2-trifluoroethyl)propanediamide
CID 87594985
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79357973
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62517442
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 118369505) is 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCl)NCC(F)(F)F.
What is the InChIKey of 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GZGWJZZZCJQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3N2O/c5-10-1-3(11)9-2-4(6,7)8/h10H,1-2H2,(H,9,11).
What are the key properties of 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 190.55 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 118369505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).