acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene

C19H16ClFN4O2 — CID 158597737

IUPACacetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene
SMILESCC(N)=O.Cc1noc2c1-c1ccnc(F)c1C(c1ccc(Cl)cc1)=NC2
InChIInChI=1S/C17H11ClFN3O.C2H5NO/c1-9-14-12-6-7-20-17(19)15(12)16(21-8-13(14)23-22-9)10-2-4-11(18)5-3-10;1-2(3)4/h2-7H,8H2,1H3;1H3,(H2,3,4)
InChIKeyHVFZQUDIUFFUMF-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.68
Rot. Bonds1

About acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene

acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene (PubChem CID 158597737) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene.

Molecular Properties

Compound Nameacetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene
PubChem CID158597737
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Nameacetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene
SMILESCC(N)=O.Cc1noc2c1-c1ccnc(F)c1C(c1ccc(Cl)cc1)=NC2
InChIInChI=1S/C17H11ClFN3O.C2H5NO/c1-9-14-12-6-7-20-17(19)15(12)16(21-8-13(14)23-22-9)10-2-4-11(18)5-3-10;1-2(3)4/h2-7H,8H2,1H3;1H3,(H2,3,4)
InChIKeyHVFZQUDIUFFUMF-UHFFFAOYSA-N
XLogP3.68
TPSA94.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene 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 acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene?
The IUPAC name of acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene (CID 158597737) is acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene.
What is the SMILES notation for acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene?
The canonical SMILES for acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene is CC(N)=O.Cc1noc2c1-c1ccnc(F)c1C(c1ccc(Cl)cc1)=NC2.
What is the InChIKey of acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene?
The InChIKey is HVFZQUDIUFFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O.C2H5NO/c1-9-14-12-6-7-20-17(19)15(12)16(21-8-13(14)23-22-9)10-2-4-11(18)5-3-10;1-2(3)4/h2-7H,8H2,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene?
acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene has a molecular weight of 386.81 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene is sourced from PubChem (CID 158597737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).