2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide

C12H18FN3O — CID 54986511

IUPAC2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cccc(F)c1N
InChIInChI=1S/C12H18FN3O/c1-3-15-11(17)8-16(4-2)10-7-5-6-9(13)12(10)14/h5-7H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyYSZVTBRTIOQKOC-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.37
Rot. Bonds5

About 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide

2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide (PubChem CID 54986511) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
PubChem CID54986511
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1cccc(F)c1N
InChIInChI=1S/C12H18FN3O/c1-3-15-11(17)8-16(4-2)10-7-5-6-9(13)12(10)14/h5-7H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyYSZVTBRTIOQKOC-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide (CID 54986511) is 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide is CCNC(=O)CN(CC)c1cccc(F)c1N.
What is the InChIKey of 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide?
The InChIKey is YSZVTBRTIOQKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-15-11(17)8-16(4-2)10-7-5-6-9(13)12(10)14/h5-7H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide?
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide has a molecular weight of 239.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide is sourced from PubChem (CID 54986511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).