3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

C10H16ClF3N2O2 — CID 63664432

IUPAC3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H16ClF3N2O2/c1-9(2,5-11)8(18)16(3)4-7(17)15-6-10(12,13)14/h4-6H2,1-3H3,(H,15,17)
InChIKeyBDMILQLLGMTYGX-UHFFFAOYSA-N
MW288.70 g/mol
LogP1.39
Rot. Bonds5

About 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (PubChem CID 63664432) has the molecular formula C10H16ClF3N2O2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
PubChem CID63664432
Molecular FormulaC10H16ClF3N2O2
Molecular Weight288.70 g/mol
Exact Mass288.09
IUPAC Name3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H16ClF3N2O2/c1-9(2,5-11)8(18)16(3)4-7(17)15-6-10(12,13)14/h4-6H2,1-3H3,(H,15,17)
InChIKeyBDMILQLLGMTYGX-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 51.39
H-Bond Donors ≤ 51
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,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The IUPAC name of 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (CID 63664432) is 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The canonical SMILES for 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is CN(CC(=O)NCC(F)(F)F)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The InChIKey is BDMILQLLGMTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3N2O2/c1-9(2,5-11)8(18)16(3)4-7(17)15-6-10(12,13)14/h4-6H2,1-3H3,(H,15,17).
What are the key properties of 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide has a molecular weight of 288.70 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is sourced from PubChem (CID 63664432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).