2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide

C16H21FN2O2 — CID 109478715

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H21FN2O2/c1-3-12(6-7-20)19-16(21)9-13-10(2)18-15-5-4-11(17)8-14(13)15/h4-5,8,12,18,20H,3,6-7,9H2,1-2H3,(H,19,21)
InChIKeyGEWOUXFZWUCRCJ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.44
Rot. Bonds6

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide (PubChem CID 109478715) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide
PubChem CID109478715
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H21FN2O2/c1-3-12(6-7-20)19-16(21)9-13-10(2)18-15-5-4-11(17)8-14(13)15/h4-5,8,12,18,20H,3,6-7,9H2,1-2H3,(H,19,21)
InChIKeyGEWOUXFZWUCRCJ-UHFFFAOYSA-N
XLogP2.44
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2S)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593800
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505165
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
CID 78852324
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)acetamide
CID 134005288
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380737

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide (CID 109478715) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide is CCC(CCO)NC(=O)Cc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide?
The InChIKey is GEWOUXFZWUCRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-3-12(6-7-20)19-16(21)9-13-10(2)18-15-5-4-11(17)8-14(13)15/h4-5,8,12,18,20H,3,6-7,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 109478715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).