N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide

C18H23FN2O2 — CID 58011464

IUPACN-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn(CCO)c2cccc(F)c12
InChIInChI=1S/C18H23FN2O2/c19-15-7-4-8-16-17(15)14(12-21(16)9-10-22)18(23)20-11-13-5-2-1-3-6-13/h4,7-8,12-13,22H,1-3,5-6,9-11H2,(H,20,23)
InChIKeyFZAYHXVYQRHBGV-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.08
Rot. Bonds5

About N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide

N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide (PubChem CID 58011464) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
PubChem CID58011464
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn(CCO)c2cccc(F)c12
InChIInChI=1S/C18H23FN2O2/c19-15-7-4-8-16-17(15)14(12-21(16)9-10-22)18(23)20-11-13-5-2-1-3-6-13/h4,7-8,12-13,22H,1-3,5-6,9-11H2,(H,20,23)
InChIKeyFZAYHXVYQRHBGV-UHFFFAOYSA-N
XLogP3.08
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-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 N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide (CID 58011464) is N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide is O=C(NCC1CCCCC1)c1cn(CCO)c2cccc(F)c12.
What is the InChIKey of N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The InChIKey is FZAYHXVYQRHBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-7-4-8-16-17(15)14(12-21(16)9-10-22)18(23)20-11-13-5-2-1-3-6-13/h4,7-8,12-13,22H,1-3,5-6,9-11H2,(H,20,23).
What are the key properties of N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide is sourced from PubChem (CID 58011464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).