N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

C18H15FN2O3 — CID 113208671

IUPACN-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H15FN2O3/c1-2-24-13-6-4-12(5-7-13)21-18(23)17(22)15-10-20-16-9-11(19)3-8-14(15)16/h3-10,20H,2H2,1H3,(H,21,23)
InChIKeyKEIOGNRGYORKQT-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.53
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208671) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208671
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H15FN2O3/c1-2-24-13-6-4-12(5-7-13)21-18(23)17(22)15-10-20-16-9-11(19)3-8-14(15)16/h3-10,20H,2H2,1H3,(H,21,23)
InChIKeyKEIOGNRGYORKQT-UHFFFAOYSA-N
XLogP3.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
CID 113206447
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
N-(2-ethoxyphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206274
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 54771579
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208671) is N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is KEIOGNRGYORKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-2-24-13-6-4-12(5-7-13)21-18(23)17(22)15-10-20-16-9-11(19)3-8-14(15)16/h3-10,20H,2H2,1H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 326.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).