N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide

C17H15FN2O4 — CID 9084902

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2oc3c(F)cccc3c2C)c(C)o1
InChIInChI=1S/C17H15FN2O4/c1-8-7-12(10(3)23-8)16(21)19-20-17(22)14-9(2)11-5-4-6-13(18)15(11)24-14/h4-7H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUBVOOEREVNLIHT-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.16
Rot. Bonds2

About N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9084902) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9084902
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2oc3c(F)cccc3c2C)c(C)o1
InChIInChI=1S/C17H15FN2O4/c1-8-7-12(10(3)23-8)16(21)19-20-17(22)14-9(2)11-5-4-6-13(18)15(11)24-14/h4-7H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUBVOOEREVNLIHT-UHFFFAOYSA-N
XLogP3.16
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide 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 N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide (CID 9084902) is N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2oc3c(F)cccc3c2C)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is UBVOOEREVNLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-8-7-12(10(3)23-8)16(21)19-20-17(22)14-9(2)11-5-4-6-13(18)15(11)24-14/h4-7H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 330.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9084902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).