N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

C18H13FN2O4 — CID 16762260

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H13FN2O4/c19-10-1-3-12-13(9-20-14(12)7-10)17(22)18(23)21-11-2-4-15-16(8-11)25-6-5-24-15/h1-4,7-9,20H,5-6H2,(H,21,23)
InChIKeyMBZBAJJTRVBHNX-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.90
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 16762260) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID16762260
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H13FN2O4/c19-10-1-3-12-13(9-20-14(12)7-10)17(22)18(23)21-11-2-4-15-16(8-11)25-6-5-24-15/h1-4,7-9,20H,5-6H2,(H,21,23)
InChIKeyMBZBAJJTRVBHNX-UHFFFAOYSA-N
XLogP2.90
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.90
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

4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304336
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 9823464
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11154775
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid methyl ester
CID 11168397
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-5-fluoro-1H-indole
CID 11751188
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
4-(2-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 9945927
4-(2,5-Difluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10291931
4-(2,4-Difluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170354

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 16762260) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is MBZBAJJTRVBHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4/c19-10-1-3-12-13(9-20-14(12)7-10)17(22)18(23)21-11-2-4-15-16(8-11)25-6-5-24-15/h1-4,7-9,20H,5-6H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 340.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 16762260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).