2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide

C18H15FN2O3 — CID 3161660

IUPAC2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C18H15FN2O3/c19-14-6-2-4-8-16(14)24-10-9-21-11-13(17(22)18(20)23)12-5-1-3-7-15(12)21/h1-8,11H,9-10H2,(H2,20,23)
InChIKeyXPPWOHZSNOEJQN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide

2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide (PubChem CID 3161660) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
PubChem CID3161660
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12
InChIInChI=1S/C18H15FN2O3/c19-14-6-2-4-8-16(14)24-10-9-21-11-13(17(22)18(20)23)12-5-1-3-7-15(12)21/h1-8,11H,9-10H2,(H2,20,23)
InChIKeyXPPWOHZSNOEJQN-UHFFFAOYSA-N
XLogP2.53
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
CID 20976467
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
CID 99965961
[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 4269954
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
5-[[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2885260
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 5302279

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide (CID 3161660) is 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide is NC(=O)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12.
What is the InChIKey of 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is XPPWOHZSNOEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-6-2-4-8-16(14)24-10-9-21-11-13(17(22)18(20)23)12-5-1-3-7-15(12)21/h1-8,11H,9-10H2,(H2,20,23).
What are the key properties of 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide?
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 326.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 3161660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).