2-(1H-INDOL-3-YL)ACETAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.

Indoles

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Indoles

Calculated Property

kind Value Source
logP 1.17 ALOGPS
logS -2 ALOGPS
Water Solubility 1.67e+00 g/l ALOGPS
logP 0.9 ChemAxon
IUPAC Name 2-(1H-indol-3-yl)acetamide ChemAxon
Traditional IUPAC Name indole-3-acetamide ChemAxon
Molecular Weight 174.1992 ChemAxon
Monoisotopic Weight 174.079312952 ChemAxon
SMILES NC(=O)CC1=CNC2=CC=CC=C12 ChemAxon
Molecular Formula C10H10N2O ChemAxon
InChI InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) ChemAxon
InChIKey InChIKey=ZOAMBXDOGPRZLP-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 58.88 ChemAxon
Refractivity 50.27 ChemAxon
Polarizability 18.23 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 15.94 ChemAxon
pKa (strongest basic) -2.5 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Aralkylamine dehydrogenase light chain : in Alcaligenes faecalis
  • Aralkylamine dehydrogenase heavy chain : in Alcaligenes faecalis