7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile

C18H15FN2O — CID 67356444

IUPAC7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(F)cc(C(CCO)c3ccccc3)cc12
InChIInChI=1S/C18H15FN2O/c19-17-9-13(8-16-14(10-20)11-21-18(16)17)15(6-7-22)12-4-2-1-3-5-12/h1-5,8-9,11,15,21-22H,6-7H2
InChIKeyPJVKOYVZZOGLMP-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.69
Rot. Bonds4

About 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile

7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile (PubChem CID 67356444) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile
PubChem CID67356444
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(F)cc(C(CCO)c3ccccc3)cc12
InChIInChI=1S/C18H15FN2O/c19-17-9-13(8-16-14(10-20)11-21-18(16)17)15(6-7-22)12-4-2-1-3-5-12/h1-5,8-9,11,15,21-22H,6-7H2
InChIKeyPJVKOYVZZOGLMP-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile 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 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile?
The IUPAC name of 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile (CID 67356444) is 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile?
The canonical SMILES for 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile is N#Cc1c[nH]c2c(F)cc(C(CCO)c3ccccc3)cc12.
What is the InChIKey of 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile?
The InChIKey is PJVKOYVZZOGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-17-9-13(8-16-14(10-20)11-21-18(16)17)15(6-7-22)12-4-2-1-3-5-12/h1-5,8-9,11,15,21-22H,6-7H2.
What are the key properties of 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile?
7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile has a molecular weight of 294.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(3-hydroxy-1-phenylpropyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 67356444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).