N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

C13H11FN2O2 — CID 113208015

IUPACN-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H11FN2O2/c14-7-1-4-11-9(5-7)10(6-15-11)12(17)13(18)16-8-2-3-8/h1,4-6,8,15H,2-3H2,(H,16,18)
InChIKeySARNMZAWKHVJDV-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.77
Rot. Bonds3

About N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208015) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208015
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H11FN2O2/c14-7-1-4-11-9(5-7)10(6-15-11)12(17)13(18)16-8-2-3-8/h1,4-6,8,15H,2-3H2,(H,16,18)
InChIKeySARNMZAWKHVJDV-UHFFFAOYSA-N
XLogP1.77
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.77
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-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11711207
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208138
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 111423653
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208015) is N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is O=C(NC1CC1)C(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is SARNMZAWKHVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-7-1-4-11-9(5-7)10(6-15-11)12(17)13(18)16-8-2-3-8/h1,4-6,8,15H,2-3H2,(H,16,18).
What are the key properties of N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 246.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).