5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide

C10H16ClF3N2O2 — CID 54875659

IUPAC5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C10H16ClF3N2O2/c1-16(9(18)4-2-3-5-11)6-8(17)15-7-10(12,13)14/h2-7H2,1H3,(H,15,17)
InChIKeyWPHZPVCCRASZLI-UHFFFAOYSA-N
MW288.70 g/mol
LogP1.53
Rot. Bonds7

About 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide

5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide (PubChem CID 54875659) has the molecular formula C10H16ClF3N2O2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
PubChem CID54875659
Molecular FormulaC10H16ClF3N2O2
Molecular Weight288.70 g/mol
Exact Mass288.09
IUPAC Name5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C10H16ClF3N2O2/c1-16(9(18)4-2-3-5-11)6-8(17)15-7-10(12,13)14/h2-7H2,1H3,(H,15,17)
InChIKeyWPHZPVCCRASZLI-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide (CID 54875659) is 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide is CN(CC(=O)NCC(F)(F)F)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
The InChIKey is WPHZPVCCRASZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3N2O2/c1-16(9(18)4-2-3-5-11)6-8(17)15-7-10(12,13)14/h2-7H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide?
5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide has a molecular weight of 288.70 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide is sourced from PubChem (CID 54875659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).