2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C17H11F3N2O2 — CID 4280823

IUPAC2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(F)c(F)c2F)c2ccccc12
InChIInChI=1S/C17H11F3N2O2/c18-12-5-6-13(17(20)16(12)19)21-15(24)8-22-7-10(9-23)11-3-1-2-4-14(11)22/h1-7,9H,8H2,(H,21,24)
InChIKeyFRKVMVSNSGENSI-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.51
Rot. Bonds4

About 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4280823) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4280823
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(F)c(F)c2F)c2ccccc12
InChIInChI=1S/C17H11F3N2O2/c18-12-5-6-13(17(20)16(12)19)21-15(24)8-22-7-10(9-23)11-3-1-2-4-14(11)22/h1-7,9H,8H2,(H,21,24)
InChIKeyFRKVMVSNSGENSI-UHFFFAOYSA-N
XLogP3.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
2-[(5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 126282270
N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
CID 4171162
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
2-(3-formylindol-1-yl)acetate
CID 3544186
2-[5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4164682
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 4280823) is 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=Cc1cn(CC(=O)Nc2ccc(F)c(F)c2F)c2ccccc12.
What is the InChIKey of 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FRKVMVSNSGENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-12-5-6-13(17(20)16(12)19)21-15(24)8-22-7-10(9-23)11-3-1-2-4-14(11)22/h1-7,9H,8H2,(H,21,24).
What are the key properties of 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 332.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4280823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).