N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide

C12H14FN3O — CID 110833777

IUPACN-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESNCCNC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H14FN3O/c13-9-1-2-11-10(6-9)8(7-16-11)5-12(17)15-4-3-14/h1-2,6-7,16H,3-5,14H2,(H,15,17)
InChIKeyQYQAHGIMYIVREJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP0.92
Rot. Bonds4

About N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide

N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 110833777) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
PubChem CID110833777
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESNCCNC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H14FN3O/c13-9-1-2-11-10(6-9)8(7-16-11)5-12(17)15-4-3-14/h1-2,6-7,16H,3-5,14H2,(H,15,17)
InChIKeyQYQAHGIMYIVREJ-UHFFFAOYSA-N
XLogP0.92
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
CID 54519508
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
N-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propyl]-N-[3-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]amino]propyl]amino]propyl]-methylboronamidic acid
CID 20697046
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 112513932
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 110833777) is N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide is NCCNC(=O)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is QYQAHGIMYIVREJ-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/h1-2,6-7,16H,3-5,14H2,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide?
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 235.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110833777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).