2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide

C14H15FN2O — CID 31899230

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H15FN2O/c1-3-6-16-14(18)8-11-9(2)17-13-5-4-10(15)7-12(11)13/h3-5,7,17H,1,6,8H2,2H3,(H,16,18)
InChIKeyASCCHEZJRRWRLI-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.46
Rot. Bonds4

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide (PubChem CID 31899230) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
PubChem CID31899230
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H15FN2O/c1-3-6-16-14(18)8-11-9(2)17-13-5-4-10(15)7-12(11)13/h3-5,7,17H,1,6,8H2,2H3,(H,16,18)
InChIKeyASCCHEZJRRWRLI-UHFFFAOYSA-N
XLogP2.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436028
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-(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-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
N-[3-(N-ethylanilino)propyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31956332
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380737
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31856595
N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211880
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872
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-prop-2-enylacetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide (CID 31899230) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide?
The InChIKey is ASCCHEZJRRWRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-6-16-14(18)8-11-9(2)17-13-5-4-10(15)7-12(11)13/h3-5,7,17H,1,6,8H2,2H3,(H,16,18).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide has a molecular weight of 246.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 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-prop-2-enylacetamide is sourced from PubChem (CID 31899230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).