2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide

C28H35FN2O2 — CID 25107779

IUPAC2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C28H35FN2O2/c1-3-5-7-12-18-31(19-13-8-6-4-2)28(33)27(32)25-23-20-22(29)16-17-24(23)30-26(25)21-14-10-9-11-15-21/h9-11,14-17,20,30H,3-8,12-13,18-19H2,1-2H3
InChIKeyOLSRLOWHJCSOBU-UHFFFAOYSA-N
MW450.60 g/mol
LogP7.15
Rot. Bonds13

About 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide

2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide (PubChem CID 25107779) has the molecular formula C28H35FN2O2 and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
PubChem CID25107779
Molecular FormulaC28H35FN2O2
Molecular Weight450.60 g/mol
Exact Mass450.27
IUPAC Name2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C28H35FN2O2/c1-3-5-7-12-18-31(19-13-8-6-4-2)28(33)27(32)25-23-20-22(29)16-17-24(23)30-26(25)21-14-10-9-11-15-21/h9-11,14-17,20,30H,3-8,12-13,18-19H2,1-2H3
InChIKeyOLSRLOWHJCSOBU-UHFFFAOYSA-N
XLogP7.15
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 57.15
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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Related Compounds

2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 11350240
N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 25107851
2-[2-(4-aminophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
CID 122183500
2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
CID 25107713
N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
CID 122183517
N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
CID 25107915
2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
CID 25108097
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
2-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoro-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 70486676
3-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228674
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
3-fluoro-N,N-di(nonyl)benzamide
CID 533098

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
The IUPAC name of 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide (CID 25107779) is 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide.
What is the SMILES notation for 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
The canonical SMILES for 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide is CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
The InChIKey is OLSRLOWHJCSOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O2/c1-3-5-7-12-18-31(19-13-8-6-4-2)28(33)27(32)25-23-20-22(29)16-17-24(23)30-26(25)21-14-10-9-11-15-21/h9-11,14-17,20,30H,3-8,12-13,18-19H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide?
2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide has a molecular weight of 450.60 g/mol, XLogP of 7.15, 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-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide is sourced from PubChem (CID 25107779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).