N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

C18H15FN2O2 — CID 113208638

IUPACN-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C18H15FN2O2/c1-10-3-4-11(2)15(7-10)21-18(23)17(22)14-9-20-16-8-12(19)5-6-13(14)16/h3-9,20H,1-2H3,(H,21,23)
InChIKeyDZBAZBURXSJBOB-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.75
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208638) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208638
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C18H15FN2O2/c1-10-3-4-11(2)15(7-10)21-18(23)17(22)14-9-20-16-8-12(19)5-6-13(14)16/h3-9,20H,1-2H3,(H,21,23)
InChIKeyDZBAZBURXSJBOB-UHFFFAOYSA-N
XLogP3.75
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.75
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)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208652
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 113208706
2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208671
N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208138
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208638) is N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is Cc1ccc(C)c(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is DZBAZBURXSJBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-10-3-4-11(2)15(7-10)21-18(23)17(22)14-9-20-16-8-12(19)5-6-13(14)16/h3-9,20H,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 310.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).