N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

C17H12BrFN2O2 — CID 113208138

IUPACN-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(F)cc23)cc1Br
InChIInChI=1S/C17H12BrFN2O2/c1-9-2-4-11(7-14(9)18)21-17(23)16(22)13-8-20-15-5-3-10(19)6-12(13)15/h2-8,20H,1H3,(H,21,23)
InChIKeyAMUZANQXBCKBJL-UHFFFAOYSA-N
MW375.20 g/mol
LogP4.20
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208138) has the molecular formula C17H12BrFN2O2 and a molecular weight of 375.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208138
Molecular FormulaC17H12BrFN2O2
Molecular Weight375.20 g/mol
Exact Mass374.01
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(F)cc23)cc1Br
InChIInChI=1S/C17H12BrFN2O2/c1-9-2-4-11(7-14(9)18)21-17(23)16(22)13-8-20-15-5-3-10(19)6-12(13)15/h2-8,20H,1H3,(H,21,23)
InChIKeyAMUZANQXBCKBJL-UHFFFAOYSA-N
XLogP4.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 54.20
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-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
N-(3,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208640
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
N-(2,3-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 16764740

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208138) is N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(F)cc23)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is AMUZANQXBCKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2/c1-9-2-4-11(7-14(9)18)21-17(23)16(22)13-8-20-15-5-3-10(19)6-12(13)15/h2-8,20H,1H3,(H,21,23).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 375.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).