N-ethyl-2-(4-fluoroanilino)-N-methylacetamide

C11H15FN2O — CID 43309636

IUPACN-ethyl-2-(4-fluoroanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-3-14(2)11(15)8-13-10-6-4-9(12)5-7-10/h4-7,13H,3,8H2,1-2H3
InChIKeyJDRUVZJKWMRROY-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.72
Rot. Bonds4

About N-ethyl-2-(4-fluoroanilino)-N-methylacetamide

N-ethyl-2-(4-fluoroanilino)-N-methylacetamide (PubChem CID 43309636) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoroanilino)-N-methylacetamide
PubChem CID43309636
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-ethyl-2-(4-fluoroanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-3-14(2)11(15)8-13-10-6-4-9(12)5-7-10/h4-7,13H,3,8H2,1-2H3
InChIKeyJDRUVZJKWMRROY-UHFFFAOYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(4-fluoroanilino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoroanilino)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(4-fluoroanilino)-N-methylacetamide (CID 43309636) is N-ethyl-2-(4-fluoroanilino)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(4-fluoroanilino)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(4-fluoroanilino)-N-methylacetamide is CCN(C)C(=O)CNc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluoroanilino)-N-methylacetamide?
The InChIKey is JDRUVZJKWMRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-14(2)11(15)8-13-10-6-4-9(12)5-7-10/h4-7,13H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluoroanilino)-N-methylacetamide?
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide has a molecular weight of 210.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoroanilino)-N-methylacetamide is sourced from PubChem (CID 43309636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).