2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide

C13H15FN2O — CID 31968622

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C)C
InChIInChI=1S/C13H15FN2O/c1-8-10(7-13(17)16(2)3)11-6-9(14)4-5-12(11)15-8/h4-6,15H,7H2,1-3H3
InChIKeyVPBVORKCYARTNH-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.25
Rot. Bonds2

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide (PubChem CID 31968622) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
PubChem CID31968622
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C)C
InChIInChI=1S/C13H15FN2O/c1-8-10(7-13(17)16(2)3)11-6-9(14)4-5-12(11)15-8/h4-6,15H,7H2,1-3H3
InChIKeyVPBVORKCYARTNH-UHFFFAOYSA-N
XLogP2.25
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-methylphenyl)acetamide
CID 31855827
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
CID 113211908
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
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
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 60550046
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 135099867
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 134701040
1-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 96513025

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide (CID 31968622) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)C.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide?
The InChIKey is VPBVORKCYARTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-10(7-13(17)16(2)3)11-6-9(14)4-5-12(11)15-8/h4-6,15H,7H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide has a molecular weight of 234.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 31968622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).