2-amino-4-(N-ethyl-4-fluoroanilino)butanamide

C12H18FN3O — CID 63054688

IUPAC2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
SMILESCCN(CCC(N)C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3O/c1-2-16(8-7-11(14)12(15)17)10-5-3-9(13)4-6-10/h3-6,11H,2,7-8,14H2,1H3,(H2,15,17)
InChIKeyAKSYHJSHKTUZJK-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.85
Rot. Bonds6

About 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide

2-amino-4-(N-ethyl-4-fluoroanilino)butanamide (PubChem CID 63054688) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide.

Molecular Properties

Compound Name2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
PubChem CID63054688
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
SMILESCCN(CCC(N)C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FN3O/c1-2-16(8-7-11(14)12(15)17)10-5-3-9(13)4-6-10/h3-6,11H,2,7-8,14H2,1H3,(H2,15,17)
InChIKeyAKSYHJSHKTUZJK-UHFFFAOYSA-N
XLogP0.85
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide?
The IUPAC name of 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide (CID 63054688) is 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide.
What is the SMILES notation for 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide?
The canonical SMILES for 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide is CCN(CCC(N)C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide?
The InChIKey is AKSYHJSHKTUZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-16(8-7-11(14)12(15)17)10-5-3-9(13)4-6-10/h3-6,11H,2,7-8,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide?
2-amino-4-(N-ethyl-4-fluoroanilino)butanamide has a molecular weight of 239.29 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(N-ethyl-4-fluoroanilino)butanamide is sourced from PubChem (CID 63054688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).