5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide

C12H13FN2O2 — CID 91076811

IUPAC5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(F)cc2c1CCCO
InChIInChI=1S/C12H13FN2O2/c13-7-3-4-10-9(6-7)8(2-1-5-16)11(15-10)12(14)17/h3-4,6,15-16H,1-2,5H2,(H2,14,17)
InChIKeyZWERKSNCQQNOSS-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.33
Rot. Bonds4

About 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide

5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide (PubChem CID 91076811) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
PubChem CID91076811
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(F)cc2c1CCCO
InChIInChI=1S/C12H13FN2O2/c13-7-3-4-10-9(6-7)8(2-1-5-16)11(15-10)12(14)17/h3-4,6,15-16H,1-2,5H2,(H2,14,17)
InChIKeyZWERKSNCQQNOSS-UHFFFAOYSA-N
XLogP1.33
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide (CID 91076811) is 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(F)cc2c1CCCO.
What is the InChIKey of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The InChIKey is ZWERKSNCQQNOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-7-3-4-10-9(6-7)8(2-1-5-16)11(15-10)12(14)17/h3-4,6,15-16H,1-2,5H2,(H2,14,17).
What are the key properties of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 91076811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).