2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H13F3N2O2 — CID 21380516

IUPAC2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=Cc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)13-4-3-5-14(8-13)22-17(25)10-23-9-12(11-24)15-6-1-2-7-16(15)23/h1-9,11H,10H2,(H,22,25)
InChIKeyYDMDSWNYGYSMOD-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.11
Rot. Bonds4

About 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 21380516) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID21380516
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=Cc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)13-4-3-5-14(8-13)22-17(25)10-23-9-12(11-24)15-6-1-2-7-16(15)23/h1-9,11H,10H2,(H,22,25)
InChIKeyYDMDSWNYGYSMOD-UHFFFAOYSA-N
XLogP4.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2974288
2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1255387
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
CID 4171162
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-[3-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]indol-1-yl]-N-phenylacetamide
CID 126303562
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
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
2-[3-[(E)-[4,6-dioxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-(4-methylphenyl)acetamide
CID 126255393
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 21380516) is 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=Cc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YDMDSWNYGYSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)13-4-3-5-14(8-13)22-17(25)10-23-9-12(11-24)15-6-1-2-7-16(15)23/h1-9,11H,10H2,(H,22,25).
What are the key properties of 2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 346.31 g/mol, XLogP of 4.11, 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 21380516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).