2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C16H19FN2O2 — CID 31883592

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H19FN2O2/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(20)18-9-12-3-2-6-21-12/h4-5,7,12,19H,2-3,6,8-9H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyOEBXUNNWPVDIMW-GFCCVEGCSA-N
MW290.34 g/mol
LogP2.45
Rot. Bonds4

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 31883592) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID31883592
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H19FN2O2/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(20)18-9-12-3-2-6-21-12/h4-5,7,12,19H,2-3,6,8-9H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyOEBXUNNWPVDIMW-GFCCVEGCSA-N
XLogP2.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
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-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460381
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 146046730
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
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-(4-methylphenyl)acetamide
CID 31855827
1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)urea
CID 119069577
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889006

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 31883592) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is OEBXUNNWPVDIMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10-13(14-7-11(17)4-5-15(14)19-10)8-16(20)18-9-12-3-2-6-21-12/h4-5,7,12,19H,2-3,6,8-9H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 290.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 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-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 31883592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).