3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide

C9H14ClF3N2O2 — CID 54875600

IUPAC3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C9H14ClF3N2O2/c1-14(2)8(17)5-15(6-9(11,12)13)7(16)3-4-10/h3-6H2,1-2H3
InChIKeyOHLMICJHDKXTTF-UHFFFAOYSA-N
MW274.67 g/mol
LogP1.09
Rot. Bonds5

About 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide

3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 54875600) has the molecular formula C9H14ClF3N2O2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID54875600
Molecular FormulaC9H14ClF3N2O2
Molecular Weight274.67 g/mol
Exact Mass274.07
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C9H14ClF3N2O2/c1-14(2)8(17)5-15(6-9(11,12)13)7(16)3-4-10/h3-6H2,1-2H3
InChIKeyOHLMICJHDKXTTF-UHFFFAOYSA-N
XLogP1.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 54875600) is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OHLMICJHDKXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3N2O2/c1-14(2)8(17)5-15(6-9(11,12)13)7(16)3-4-10/h3-6H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 274.67 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 54875600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).