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

C20H19FN2O2 — CID 113208652

IUPACN-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H19FN2O2/c1-20(2,3)15-6-4-5-7-16(15)23-19(25)18(24)14-11-22-17-10-12(21)8-9-13(14)17/h4-11,22H,1-3H3,(H,23,25)
InChIKeySDTCETRJNMHUEO-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.43
Rot. Bonds3

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

N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208652) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208652
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H19FN2O2/c1-20(2,3)15-6-4-5-7-16(15)23-19(25)18(24)14-11-22-17-10-12(21)8-9-13(14)17/h4-11,22H,1-3H3,(H,23,25)
InChIKeySDTCETRJNMHUEO-UHFFFAOYSA-N
XLogP4.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 113208706
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
N-(2,3-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 16764740
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 113208175
2-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208652) is N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is CC(C)(C)c1ccccc1NC(=O)C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is SDTCETRJNMHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-20(2,3)15-6-4-5-7-16(15)23-19(25)18(24)14-11-22-17-10-12(21)8-9-13(14)17/h4-11,22H,1-3H3,(H,23,25).
What are the key properties of N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 338.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).