cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium

C25H30FN2O2+ — CID 25271221

IUPACcyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium
SMILESC[N+](C)(Cc1ccc(NC(=O)C2=Cc3c(F)cccc3OC2)cc1)C1CCCCC1
InChIInChI=1S/C25H29FN2O2/c1-28(2,21-7-4-3-5-8-21)16-18-11-13-20(14-12-18)27-25(29)19-15-22-23(26)9-6-10-24(22)30-17-19/h6,9-15,21H,3-5,7-8,16-17H2,1-2H3/p+1
InChIKeyQMUUPTQOUMJFEV-UHFFFAOYSA-O
MW409.53 g/mol
LogP5.15
Rot. Bonds5

About cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium

cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium (PubChem CID 25271221) has the molecular formula C25H30FN2O2+ and a molecular weight of 409.53 g/mol. Its IUPAC name is cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium.

Molecular Properties

Compound Namecyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium
PubChem CID25271221
Molecular FormulaC25H30FN2O2+
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Namecyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium
SMILESC[N+](C)(Cc1ccc(NC(=O)C2=Cc3c(F)cccc3OC2)cc1)C1CCCCC1
InChIInChI=1S/C25H29FN2O2/c1-28(2,21-7-4-3-5-8-21)16-18-11-13-20(14-12-18)27-25(29)19-15-22-23(26)9-6-10-24(22)30-17-19/h6,9-15,21H,3-5,7-8,16-17H2,1-2H3/p+1
InChIKeyQMUUPTQOUMJFEV-UHFFFAOYSA-O
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium?
The IUPAC name of cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium (CID 25271221) is cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium.
What is the SMILES notation for cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium?
The canonical SMILES for cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium is C[N+](C)(Cc1ccc(NC(=O)C2=Cc3c(F)cccc3OC2)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium?
The InChIKey is QMUUPTQOUMJFEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H29FN2O2/c1-28(2,21-7-4-3-5-8-21)16-18-11-13-20(14-12-18)27-25(29)19-15-22-23(26)9-6-10-24(22)30-17-19/h6,9-15,21H,3-5,7-8,16-17H2,1-2H3/p+1.
What are the key properties of cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium?
cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium has a molecular weight of 409.53 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[[4-[(5-fluoro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium is sourced from PubChem (CID 25271221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).