N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

C18H13FN2O4 — CID 113208047

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H13FN2O4/c19-11-2-3-14-12(6-11)13(8-20-14)17(22)18(23)21-7-10-1-4-15-16(5-10)25-9-24-15/h1-6,8,20H,7,9H2,(H,21,23)
InChIKeyWIWYRFIPTNLOFQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.53
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208047) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208047
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H13FN2O4/c19-11-2-3-14-12(6-11)13(8-20-14)17(22)18(23)21-7-10-1-4-15-16(5-10)25-9-24-15/h1-6,8,20H,7,9H2,(H,21,23)
InChIKeyWIWYRFIPTNLOFQ-UHFFFAOYSA-N
XLogP2.53
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 112513932
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208764
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975780
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluoro-1H-indol-3-yl)acetamide
CID 110851708
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021165
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-fluorophenyl)oxamide
CID 3136649

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208047) is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is WIWYRFIPTNLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4/c19-11-2-3-14-12(6-11)13(8-20-14)17(22)18(23)21-7-10-1-4-15-16(5-10)25-9-24-15/h1-6,8,20H,7,9H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 340.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).