2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide

C17H23FN2O — CID 113210360

IUPAC2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H23FN2O/c1-4-5-6-9-19-16(21)17(2,3)14-11-20-15-10-12(18)7-8-13(14)15/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyGXYRYNRZERUABV-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.89
Rot. Bonds6

About 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide (PubChem CID 113210360) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
PubChem CID113210360
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H23FN2O/c1-4-5-6-9-19-16(21)17(2,3)14-11-20-15-10-12(18)7-8-13(14)15/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyGXYRYNRZERUABV-UHFFFAOYSA-N
XLogP3.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210302
N-butan-2-yl-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210289
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210295
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
N-[4-(dimethylamino)phenyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210414
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide (CID 113210360) is 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide is CCCCCNC(=O)C(C)(C)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide?
The InChIKey is GXYRYNRZERUABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-5-6-9-19-16(21)17(2,3)14-11-20-15-10-12(18)7-8-13(14)15/h7-8,10-11,20H,4-6,9H2,1-3H3,(H,19,21).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide?
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide has a molecular weight of 290.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide is sourced from PubChem (CID 113210360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).