N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide

C12H14FN3O — CID 68606003

IUPACN-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
SMILESNCCNC(=O)CC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H14FN3O/c13-9-1-2-11-10(6-9)8(7-16-11)5-12(17)15-4-3-14/h1,6-7H,2-5,14H2,(H,15,17)
InChIKeyHBRGLZRGEPLBLQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP0.97
Rot. Bonds4

About N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide

N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide (PubChem CID 68606003) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
PubChem CID68606003
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide
SMILESNCCNC(=O)CC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H14FN3O/c13-9-1-2-11-10(6-9)8(7-16-11)5-12(17)15-4-3-14/h1,6-7H,2-5,14H2,(H,15,17)
InChIKeyHBRGLZRGEPLBLQ-UHFFFAOYSA-N
XLogP0.97
TPSA67.48 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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide (CID 68606003) is N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide is NCCNC(=O)CC1=CN=C2CC=C(F)C=C12.
What is the InChIKey of N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
The InChIKey is HBRGLZRGEPLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-9-1-2-11-10(6-9)8(7-16-11)5-12(17)15-4-3-14/h1,6-7H,2-5,14H2,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide?
N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide has a molecular weight of 235.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-fluoro-7H-indol-3-yl)acetamide is sourced from PubChem (CID 68606003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).