2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide

C17H21FN2O4 — CID 146046730

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CCO[C@H](CO)[C@H]1O
InChIInChI=1S/C17H21FN2O4/c1-9-11(12-6-10(18)2-3-13(12)19-9)7-16(22)20-14-4-5-24-15(8-21)17(14)23/h2-3,6,14-15,17,19,21,23H,4-5,7-8H2,1H3,(H,20,22)/t14-,15+,17-/m0/s1
InChIKeyBWFXGSUIQMTHMB-UXLLHSPISA-N
MW336.36 g/mol
LogP0.78
Rot. Bonds4

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide (PubChem CID 146046730) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
PubChem CID146046730
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CCO[C@H](CO)[C@H]1O
InChIInChI=1S/C17H21FN2O4/c1-9-11(12-6-10(18)2-3-13(12)19-9)7-16(22)20-14-4-5-24-15(8-21)17(14)23/h2-3,6,14-15,17,19,21,23H,4-5,7-8H2,1H3,(H,20,22)/t14-,15+,17-/m0/s1
InChIKeyBWFXGSUIQMTHMB-UXLLHSPISA-N
XLogP0.78
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)acetamide
CID 134005288
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 74251445
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-(4-methylphenyl)acetamide
CID 31855827
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86934094
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
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478715
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide (CID 146046730) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CCO[C@H](CO)[C@H]1O.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide?
The InChIKey is BWFXGSUIQMTHMB-UXLLHSPISA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-9-11(12-6-10(18)2-3-13(12)19-9)7-16(22)20-14-4-5-24-15(8-21)17(14)23/h2-3,6,14-15,17,19,21,23H,4-5,7-8H2,1H3,(H,20,22)/t14-,15+,17-/m0/s1.
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide has a molecular weight of 336.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide is sourced from PubChem (CID 146046730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).