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

C14H15FN2O2 — CID 113208017

IUPACN-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C14H15FN2O2/c1-2-3-6-16-14(19)13(18)11-8-17-12-5-4-9(15)7-10(11)12/h4-5,7-8,17H,2-3,6H2,1H3,(H,16,19)
InChIKeyLGSKYMCTYFFTPU-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.41
Rot. Bonds5

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

N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208017) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208017
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C14H15FN2O2/c1-2-3-6-16-14(19)13(18)11-8-17-12-5-4-9(15)7-10(11)12/h4-5,7-8,17H,2-3,6H2,1H3,(H,16,19)
InChIKeyLGSKYMCTYFFTPU-UHFFFAOYSA-N
XLogP2.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208619
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
N-(3-bromo-4-methylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208138
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208047

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208017) is N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is CCCCNC(=O)C(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is LGSKYMCTYFFTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-3-6-16-14(19)13(18)11-8-17-12-5-4-9(15)7-10(11)12/h4-5,7-8,17H,2-3,6H2,1H3,(H,16,19).
What are the key properties of N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 262.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).