4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide

C12H14FN3O — CID 68606006

IUPAC4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide
SMILESNCCC(C(N)=O)C1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H14FN3O/c13-7-1-2-11-9(5-7)10(6-16-11)8(3-4-14)12(15)17/h1,5-6,8H,2-4,14H2,(H2,15,17)
InChIKeyPTVDGWICUVPHGX-UHFFFAOYSA-N
MW235.26 g/mol
LogP0.96
Rot. Bonds4

About 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide

4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide (PubChem CID 68606006) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide
PubChem CID68606006
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide
SMILESNCCC(C(N)=O)C1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H14FN3O/c13-7-1-2-11-9(5-7)10(6-16-11)8(3-4-14)12(15)17/h1,5-6,8H,2-4,14H2,(H2,15,17)
InChIKeyPTVDGWICUVPHGX-UHFFFAOYSA-N
XLogP0.96
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide?
The IUPAC name of 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide (CID 68606006) is 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide.
What is the SMILES notation for 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide?
The canonical SMILES for 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide is NCCC(C(N)=O)C1=CN=C2CC=C(F)C=C12.
What is the InChIKey of 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide?
The InChIKey is PTVDGWICUVPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-7-1-2-11-9(5-7)10(6-16-11)8(3-4-14)12(15)17/h1,5-6,8H,2-4,14H2,(H2,15,17).
What are the key properties of 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide?
4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide has a molecular weight of 235.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-fluoro-7H-indol-3-yl)butanamide is sourced from PubChem (CID 68606006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).