2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide

C28H34F2N2O2 — CID 25107781

IUPAC2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C28H34F2N2O2/c1-3-5-7-9-17-32(18-10-8-6-4-2)28(34)27(33)25-23-19-22(30)15-16-24(23)31-26(25)20-11-13-21(29)14-12-20/h11-16,19,31H,3-10,17-18H2,1-2H3
InChIKeyQPCDJCHOTBFQMW-UHFFFAOYSA-N
MW468.59 g/mol
LogP7.28
Rot. Bonds13

About 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide

2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide (PubChem CID 25107781) has the molecular formula C28H34F2N2O2 and a molecular weight of 468.59 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
PubChem CID25107781
Molecular FormulaC28H34F2N2O2
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C28H34F2N2O2/c1-3-5-7-9-17-32(18-10-8-6-4-2)28(34)27(33)25-23-19-22(30)15-16-24(23)31-26(25)20-11-13-21(29)14-12-20/h11-16,19,31H,3-10,17-18H2,1-2H3
InChIKeyQPCDJCHOTBFQMW-UHFFFAOYSA-N
XLogP7.28
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide?
The IUPAC name of 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide (CID 25107781) is 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide?
The canonical SMILES for 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide?
The InChIKey is QPCDJCHOTBFQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N2O2/c1-3-5-7-9-17-32(18-10-8-6-4-2)28(34)27(33)25-23-19-22(30)15-16-24(23)31-26(25)20-11-13-21(29)14-12-20/h11-16,19,31H,3-10,17-18H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide?
2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide has a molecular weight of 468.59 g/mol, XLogP of 7.28, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide is sourced from PubChem (CID 25107781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).