5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide

C17H23FN2O2 — CID 109380589

IUPAC5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H23FN2O2/c1-10(2)15(21)17(3,4)9-19-16(22)14-8-11-7-12(18)5-6-13(11)20-14/h5-8,10,15,20-21H,9H2,1-4H3,(H,19,22)
InChIKeyGMHOMQJVWRTSDI-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.08
Rot. Bonds5

About 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide

5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide (PubChem CID 109380589) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide
PubChem CID109380589
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H23FN2O2/c1-10(2)15(21)17(3,4)9-19-16(22)14-8-11-7-12(18)5-6-13(11)20-14/h5-8,10,15,20-21H,9H2,1-4H3,(H,19,22)
InChIKeyGMHOMQJVWRTSDI-UHFFFAOYSA-N
XLogP3.08
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 46555928
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380737
2-[[(5-fluoro-1H-indole-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253265
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380791
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide (CID 109380589) is 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide?
The InChIKey is GMHOMQJVWRTSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-10(2)15(21)17(3,4)9-19-16(22)14-8-11-7-12(18)5-6-13(11)20-14/h5-8,10,15,20-21H,9H2,1-4H3,(H,19,22).
What are the key properties of 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide?
5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 109380589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).