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

C18H15FN2O2 — CID 113208640

IUPACN-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1cc(C)cc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C18H15FN2O2/c1-10-5-11(2)7-13(6-10)21-18(23)17(22)15-9-20-16-8-12(19)3-4-14(15)16/h3-9,20H,1-2H3,(H,21,23)
InChIKeyMFWJIDSIYHUOPF-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.75
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208640) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208640
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1cc(C)cc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C18H15FN2O2/c1-10-5-11(2)7-13(6-10)21-18(23)17(22)15-9-20-16-8-12(19)3-4-14(15)16/h3-9,20H,1-2H3,(H,21,23)
InChIKeyMFWJIDSIYHUOPF-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

N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208671
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208138
N-(2-tert-butylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208652
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
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
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208640) is N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is Cc1cc(C)cc(NC(=O)C(=O)c2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is MFWJIDSIYHUOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-10-5-11(2)7-13(6-10)21-18(23)17(22)15-9-20-16-8-12(19)3-4-14(15)16/h3-9,20H,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(3,5-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-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).