3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide

C16H11F3N2O3 — CID 68664388

IUPAC3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide
SMILESNNC(=O)c1ccc2occ(-c3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)24-11-3-1-2-9(6-11)13-8-23-14-5-4-10(7-12(13)14)15(22)21-20/h1-8H,20H2,(H,21,22)
InChIKeyVPLIDBYVIJLJAY-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.60
Rot. Bonds3

About 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide

3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide (PubChem CID 68664388) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide
PubChem CID68664388
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide
SMILESNNC(=O)c1ccc2occ(-c3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)24-11-3-1-2-9(6-11)13-8-23-14-5-4-10(7-12(13)14)15(22)21-20/h1-8H,20H2,(H,21,22)
InChIKeyVPLIDBYVIJLJAY-UHFFFAOYSA-N
XLogP3.60
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide 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

[5-[3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]-1,3,4-oxadiazol-2-yl]cyanamide
CID 86640048
5-[3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 68663716
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
CID 133086893
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
ethyl 4-nitro-3-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633751
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
2-[3-(trifluoromethoxy)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 59828547
N-methyl-2-[2-[3-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 46212144

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide (CID 68664388) is 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide is NNC(=O)c1ccc2occ(-c3cccc(OC(F)(F)F)c3)c2c1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide?
The InChIKey is VPLIDBYVIJLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c17-16(18,19)24-11-3-1-2-9(6-11)13-8-23-14-5-4-10(7-12(13)14)15(22)21-20/h1-8H,20H2,(H,21,22).
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide?
3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide has a molecular weight of 336.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-carbohydrazide is sourced from PubChem (CID 68664388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).