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

C19H25FN2O2 — CID 58011295

IUPACN-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cn(CCO)c2cccc(F)c12
InChIInChI=1S/C19H25FN2O2/c20-16-7-4-8-17-18(16)15(13-22(17)11-12-23)19(24)21-10-9-14-5-2-1-3-6-14/h4,7-8,13-14,23H,1-3,5-6,9-12H2,(H,21,24)
InChIKeyNSAORODKHFCGAK-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.47
Rot. Bonds6

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

N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide (PubChem CID 58011295) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
PubChem CID58011295
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cn(CCO)c2cccc(F)c12
InChIInChI=1S/C19H25FN2O2/c20-16-7-4-8-17-18(16)15(13-22(17)11-12-23)19(24)21-10-9-14-5-2-1-3-6-14/h4,7-8,13-14,23H,1-3,5-6,9-12H2,(H,21,24)
InChIKeyNSAORODKHFCGAK-UHFFFAOYSA-N
XLogP3.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide (CID 58011295) is N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide is O=C(NCCC1CCCCC1)c1cn(CCO)c2cccc(F)c12.
What is the InChIKey of N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
The InChIKey is NSAORODKHFCGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-7-4-8-17-18(16)15(13-22(17)11-12-23)19(24)21-10-9-14-5-2-1-3-6-14/h4,7-8,13-14,23H,1-3,5-6,9-12H2,(H,21,24).
What are the key properties of N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide?
N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide is sourced from PubChem (CID 58011295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).