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

C10H16ClF3N2O2 — CID 55110769

IUPAC3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CCl)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H16ClF3N2O2/c1-7(4-11)9(18)16(6-10(12,13)14)5-8(17)15(2)3/h7H,4-6H2,1-3H3
InChIKeyHANXXZLQZAYPMR-UHFFFAOYSA-N
MW288.70 g/mol
LogP1.34
Rot. Bonds5

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

3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 55110769) has the molecular formula C10H16ClF3N2O2 and a molecular weight of 288.70 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID55110769
Molecular FormulaC10H16ClF3N2O2
Molecular Weight288.70 g/mol
Exact Mass288.09
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CCl)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H16ClF3N2O2/c1-7(4-11)9(18)16(6-10(12,13)14)5-8(17)15(2)3/h7H,4-6H2,1-3H3
InChIKeyHANXXZLQZAYPMR-UHFFFAOYSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 51.34
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-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 55110769) is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(CCl)C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HANXXZLQZAYPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3N2O2/c1-7(4-11)9(18)16(6-10(12,13)14)5-8(17)15(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 288.70 g/mol, XLogP of 1.34, 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-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 55110769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).