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

C11H18ClF3N2O2 — CID 63665265

IUPAC3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H18ClF3N2O2/c1-10(2,6-12)9(19)17(7-11(13,14)15)5-8(18)16(3)4/h5-7H2,1-4H3
InChIKeyJSQQDEJXVAICES-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.73
Rot. Bonds5

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

3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 63665265) has the molecular formula C11H18ClF3N2O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID63665265
Molecular FormulaC11H18ClF3N2O2
Molecular Weight302.72 g/mol
Exact Mass302.10
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C(C)(C)CCl
InChIInChI=1S/C11H18ClF3N2O2/c1-10(2,6-12)9(19)17(7-11(13,14)15)5-8(18)16(3)4/h5-7H2,1-4H3
InChIKeyJSQQDEJXVAICES-UHFFFAOYSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.73
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]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (CID 63665265) is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JSQQDEJXVAICES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF3N2O2/c1-10(2,6-12)9(19)17(7-11(13,14)15)5-8(18)16(3)4/h5-7H2,1-4H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 302.72 g/mol, XLogP of 1.73, 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]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 63665265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).