2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide

C20H18FN3O4 — CID 16657051

IUPAC2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide
SMILESCc1c(C(=O)C(N)=O)c2c(OC(F)C(N)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C20H18FN3O4/c1-11-15(17(25)19(22)26)16-13(24(11)10-12-6-3-2-4-7-12)8-5-9-14(16)28-18(21)20(23)27/h2-9,18H,10H2,1H3,(H2,22,26)(H2,23,27)
InChIKeyGQESLKYXQBGKSB-UHFFFAOYSA-N
MW383.38 g/mol
LogP1.83
Rot. Bonds7

About 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide

2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide (PubChem CID 16657051) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide
PubChem CID16657051
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide
SMILESCc1c(C(=O)C(N)=O)c2c(OC(F)C(N)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C20H18FN3O4/c1-11-15(17(25)19(22)26)16-13(24(11)10-12-6-3-2-4-7-12)8-5-9-14(16)28-18(21)20(23)27/h2-9,18H,10H2,1H3,(H2,22,26)(H2,23,27)
InChIKeyGQESLKYXQBGKSB-UHFFFAOYSA-N
XLogP1.83
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Varespladib
CID 155815
Varespladib Methyl
CID 9886917
Me-indoxam
CID 9803388
2-[2-Ethyl-3-oxamoyl-1-(phenylmethyl)benzo[g]indol-4-yl]oxyacetic acid
CID 9867345
2-[2-Methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
CID 9888132
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
(S)-2-(3-((3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)propanoic acid
CID 44583199
Flutriciclamide F-18
CID 51040949
5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
CID 138105970
1-benzyl-N-(3,4-difluorobenzyl)-6-ethoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059487
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-propoxy-1H-indole-3-carboxamide
CID 25059488
1-Benzyl-N-(3,4-difluorobenzyl)-6-isopropoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059745

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide?
The IUPAC name of 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide (CID 16657051) is 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide.
What is the SMILES notation for 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide?
The canonical SMILES for 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide is Cc1c(C(=O)C(N)=O)c2c(OC(F)C(N)=O)cccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide?
The InChIKey is GQESLKYXQBGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-11-15(17(25)19(22)26)16-13(24(11)10-12-6-3-2-4-7-12)8-5-9-14(16)28-18(21)20(23)27/h2-9,18H,10H2,1H3,(H2,22,26)(H2,23,27).
What are the key properties of 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide?
2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide has a molecular weight of 383.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoroacetamide is sourced from PubChem (CID 16657051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).