2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one

C24H25F6N3O4 — CID 143546191

IUPAC2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one
SMILESCC(F)(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F.COCCN1C(=O)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO2.C7H8F6N2O2/c1-20-11-10-18-16-9-5-4-8-15(16)14-7-3-2-6-13(14)12-17(18)19;1-5(8,3(14)16)4(17)15-2-6(9,10)7(11,12)13/h2-9H,10-12H2,1H3;2H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWJHPACZTVGSPSG-UHFFFAOYSA-N
MW533.47 g/mol
LogP3.40
Rot. Bonds7

About 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one

2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one (PubChem CID 143546191) has the molecular formula C24H25F6N3O4 and a molecular weight of 533.47 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one
PubChem CID143546191
Molecular FormulaC24H25F6N3O4
Molecular Weight533.47 g/mol
Exact Mass533.17
IUPAC Name2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one
SMILESCC(F)(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F.COCCN1C(=O)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO2.C7H8F6N2O2/c1-20-11-10-18-16-9-5-4-8-15(16)14-7-3-2-6-13(14)12-17(18)19;1-5(8,3(14)16)4(17)15-2-6(9,10)7(11,12)13/h2-9H,10-12H2,1H3;2H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWJHPACZTVGSPSG-UHFFFAOYSA-N
XLogP3.40
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one 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 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one?
The IUPAC name of 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one (CID 143546191) is 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one.
What is the SMILES notation for 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one?
The canonical SMILES for 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one is CC(F)(C(N)=O)C(=O)NCC(F)(F)C(F)(F)F.COCCN1C(=O)Cc2ccccc2-c2ccccc21.
What is the InChIKey of 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one?
The InChIKey is WJHPACZTVGSPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2.C7H8F6N2O2/c1-20-11-10-18-16-9-5-4-8-15(16)14-7-3-2-6-13(14)12-17(18)19;1-5(8,3(14)16)4(17)15-2-6(9,10)7(11,12)13/h2-9H,10-12H2,1H3;2H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one?
2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one has a molecular weight of 533.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;5-(2-methoxyethyl)-7H-benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 143546191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).