N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide

C17H13FN2O2 — CID 883169

IUPACN-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H13FN2O2/c18-13-5-7-14(8-6-13)19-17(22)10-20-9-12(11-21)15-3-1-2-4-16(15)20/h1-9,11H,10H2,(H,19,22)
InChIKeyIHPRFXABLADVBE-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.23
Rot. Bonds4

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

N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 883169) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID883169
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H13FN2O2/c18-13-5-7-14(8-6-13)19-17(22)10-20-9-12(11-21)15-3-1-2-4-16(15)20/h1-9,11H,10H2,(H,19,22)
InChIKeyIHPRFXABLADVBE-UHFFFAOYSA-N
XLogP3.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.23
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

Indole-3-Carboxaldehyde
CID 10256
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
L-Valine, N-((1-(5-fluoropentyl)-1H-indol-3-yl)carbonyl)-3-methyl-, methyl ester
CID 129597835
1H-indole-3-carboxamide
CID 2192542
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
CID 54752945
N-(1-Adamantyl)-1-pentyl-1H-indole-3-carboxamide
CID 71308155
5-Fluoro CUMYL-PICA
CID 117650397
Slv-310
CID 9888211
Indole, 3-(dimethylaminoacetyl)-
CID 34863

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide (CID 883169) is N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide is O=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is IHPRFXABLADVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-13-5-7-14(8-6-13)19-17(22)10-20-9-12(11-21)15-3-1-2-4-16(15)20/h1-9,11H,10H2,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide?
N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 296.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 883169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).