3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide

C11H16FN3O2 — CID 63594462

IUPAC3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
SMILESCCOc1cc(NCCC(N)=O)c(N)cc1F
InChIInChI=1S/C11H16FN3O2/c1-2-17-10-6-9(8(13)5-7(10)12)15-4-3-11(14)16/h5-6,15H,2-4,13H2,1H3,(H2,14,16)
InChIKeyWKWIYXSWJYBNPR-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.09
Rot. Bonds6

About 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide

3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide (PubChem CID 63594462) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
PubChem CID63594462
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
SMILESCCOc1cc(NCCC(N)=O)c(N)cc1F
InChIInChI=1S/C11H16FN3O2/c1-2-17-10-6-9(8(13)5-7(10)12)15-4-3-11(14)16/h5-6,15H,2-4,13H2,1H3,(H2,14,16)
InChIKeyWKWIYXSWJYBNPR-UHFFFAOYSA-N
XLogP1.09
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-fluoro-5-propoxyanilino)-N-methylpropanamide
CID 63591924
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
4-ethoxy-5-fluoro-2-N-[2-(2-methoxyethoxy)ethyl]benzene-1,2-diamine
CID 63594479
4-ethoxy-5-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 63594299
4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384
4-ethoxy-5-fluoro-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426443
4-ethoxy-5-fluoro-2-N-(3-methylsulfanylbutyl)benzene-1,2-diamine
CID 113493863
3-(2-ethoxyanilino)propanamide
CID 43131857
4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 63593234
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
4-ethoxy-5-fluoro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 63592882

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide?
The IUPAC name of 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide (CID 63594462) is 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide.
What is the SMILES notation for 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide?
The canonical SMILES for 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide is CCOc1cc(NCCC(N)=O)c(N)cc1F.
What is the InChIKey of 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide?
The InChIKey is WKWIYXSWJYBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-2-17-10-6-9(8(13)5-7(10)12)15-4-3-11(14)16/h5-6,15H,2-4,13H2,1H3,(H2,14,16).
What are the key properties of 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide?
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide has a molecular weight of 241.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide is sourced from PubChem (CID 63594462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).