2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium

C22H19FNO2+ — CID 9258156

IUPAC2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
SMILESO=c1cc(C[NH2+]CCc2ccccc2F)c2c(ccc3ccccc32)o1
InChIInChI=1S/C22H18FNO2/c23-19-8-4-2-6-16(19)11-12-24-14-17-13-21(25)26-20-10-9-15-5-1-3-7-18(15)22(17)20/h1-10,13,24H,11-12,14H2/p+1
InChIKeyCQCZBFQXJIEICA-UHFFFAOYSA-O
MW348.40 g/mol
LogP3.39
Rot. Bonds5

About 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium

2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium (PubChem CID 9258156) has the molecular formula C22H19FNO2+ and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
PubChem CID9258156
Molecular FormulaC22H19FNO2+
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
SMILESO=c1cc(C[NH2+]CCc2ccccc2F)c2c(ccc3ccccc32)o1
InChIInChI=1S/C22H18FNO2/c23-19-8-4-2-6-16(19)11-12-24-14-17-13-21(25)26-20-10-9-15-5-1-3-7-18(15)22(17)20/h1-10,13,24H,11-12,14H2/p+1
InChIKeyCQCZBFQXJIEICA-UHFFFAOYSA-O
XLogP3.39
TPSA46.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 9256464
(3-oxobenzo[f]chromen-1-yl)methyl-pentan-3-ylazanium
CID 9265625
[2-(methylamino)-2-oxoethyl]-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 8772091
2-(furan-2-ylmethylsulfanyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 9265900
[(1R)-1-(furan-2-yl)ethyl]-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 8919746
dimethyl-[(1S)-2-[(3-oxobenzo[f]chromen-1-yl)methylazaniumyl]-1-phenylethyl]azanium
CID 9256692
6-fluoro-4-[2-(2-fluorophenyl)ethyl]chromen-2-one
CID 100959807
dimethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 8931831
1-(pyrrolidin-1-ium-1-ylmethyl)benzo[f]chromen-3-one
CID 8901538
[(1S)-1-(3-methoxyphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylazaniumyl]ethyl]-dimethylazanium
CID 9263009
1-(azocan-1-ium-1-ylmethyl)benzo[f]chromen-3-one
CID 8583520
1-[[(4-fluorophenyl)methylamino]methyl]benzo[f]chromen-3-one
CID 9256557

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium?
The IUPAC name of 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium (CID 9258156) is 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium?
The canonical SMILES for 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium is O=c1cc(C[NH2+]CCc2ccccc2F)c2c(ccc3ccccc32)o1.
What is the InChIKey of 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium?
The InChIKey is CQCZBFQXJIEICA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H18FNO2/c23-19-8-4-2-6-16(19)11-12-24-14-17-13-21(25)26-20-10-9-15-5-1-3-7-18(15)22(17)20/h1-10,13,24H,11-12,14H2/p+1.
What are the key properties of 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium?
2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium has a molecular weight of 348.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium is sourced from PubChem (CID 9258156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).