2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide

C18H15FN2O3 — CID 113208672

IUPAC2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H15FN2O3/c1-10-3-6-16(24-2)15(7-10)21-18(23)17(22)13-9-20-14-8-11(19)4-5-12(13)14/h3-9,20H,1-2H3,(H,21,23)
InChIKeyGLBKXYQXNFFHRC-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.45
Rot. Bonds4

About 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide

2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide (PubChem CID 113208672) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
PubChem CID113208672
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H15FN2O3/c1-10-3-6-16(24-2)15(7-10)21-18(23)17(22)13-9-20-14-8-11(19)4-5-12(13)14/h3-9,20H,1-2H3,(H,21,23)
InChIKeyGLBKXYQXNFFHRC-UHFFFAOYSA-N
XLogP3.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.45
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

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
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208188
N-(2,3-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 16764740
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208652
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
(5-chloro-2-methoxyphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163494

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide (CID 113208672) is 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide is COc1ccc(C)cc1NC(=O)C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
The InChIKey is GLBKXYQXNFFHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10-3-6-16(24-2)15(7-10)21-18(23)17(22)13-9-20-14-8-11(19)4-5-12(13)14/h3-9,20H,1-2H3,(H,21,23).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide?
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide has a molecular weight of 326.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 113208672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).