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

C8H12ClF3N2O2 — CID 60949951

IUPAC3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C8H12ClF3N2O2/c1-14(7(16)2-3-9)4-6(15)13-5-8(10,11)12/h2-5H2,1H3,(H,13,15)
InChIKeyPWUIQGOGSQHEGR-UHFFFAOYSA-N
MW260.64 g/mol
LogP0.75
Rot. Bonds5

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

3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (PubChem CID 60949951) has the molecular formula C8H12ClF3N2O2 and a molecular weight of 260.64 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
PubChem CID60949951
Molecular FormulaC8H12ClF3N2O2
Molecular Weight260.64 g/mol
Exact Mass260.05
IUPAC Name3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCCl
InChIInChI=1S/C8H12ClF3N2O2/c1-14(7(16)2-3-9)4-6(15)13-5-8(10,11)12/h2-5H2,1H3,(H,13,15)
InChIKeyPWUIQGOGSQHEGR-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide
CID 167098393
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 54875600
5-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pentanamide
CID 54875659
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55110769
2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60812594
2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60949952
2,2,2-trifluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 62728422
3-chloro-N,2-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 62728697
2,2,2-trifluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62734858
4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 63308126
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 63664432
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 63665265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The IUPAC name of 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (CID 60949951) is 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is CN(CC(=O)NCC(F)(F)F)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The InChIKey is PWUIQGOGSQHEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3N2O2/c1-14(7(16)2-3-9)4-6(15)13-5-8(10,11)12/h2-5H2,1H3,(H,13,15).
What are the key properties of 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide has a molecular weight of 260.64 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is sourced from PubChem (CID 60949951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).