2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide

C15H17FN2O2 — CID 113208619

IUPAC2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H17FN2O2/c1-9(2)5-6-17-15(20)14(19)12-8-18-13-7-10(16)3-4-11(12)13/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,20)
InChIKeyKHLORHPLEMRXKC-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.65
Rot. Bonds5

About 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide

2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide (PubChem CID 113208619) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
PubChem CID113208619
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H17FN2O2/c1-9(2)5-6-17-15(20)14(19)12-8-18-13-7-10(16)3-4-11(12)13/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,20)
InChIKeyKHLORHPLEMRXKC-UHFFFAOYSA-N
XLogP2.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide 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-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
1-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 113211115
N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 68518870
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208652
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208671
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide (CID 113208619) is 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide is CC(C)CCNC(=O)C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
The InChIKey is KHLORHPLEMRXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9(2)5-6-17-15(20)14(19)12-8-18-13-7-10(16)3-4-11(12)13/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,20).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide?
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide has a molecular weight of 276.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide is sourced from PubChem (CID 113208619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).