4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide

C15H15F3N2O3 — CID 2869474

IUPAC4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1
InChIInChI=1S/C15H15F3N2O3/c1-23-10-7-5-9(6-8-10)14(22)20-19-12-4-2-3-11(12)13(21)15(16,17)18/h5-8,19H,2-4H2,1H3,(H,20,22)
InChIKeyMVTRHYVYPOLGPZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.50
Rot. Bonds5

About 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide

4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide (PubChem CID 2869474) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
PubChem CID2869474
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1
InChIInChI=1S/C15H15F3N2O3/c1-23-10-7-5-9(6-8-10)14(22)20-19-12-4-2-3-11(12)13(21)15(16,17)18/h5-8,19H,2-4H2,1H3,(H,20,22)
InChIKeyMVTRHYVYPOLGPZ-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide 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

4-Methoxybenzohydrazide
CID 76792
4-Methoxybenzamide
CID 76959
N'1,N'6-bis(4-methoxybenzoyl)hexanedihydrazide
CID 3115394
Benzoic acid, 4-methoxy-, 2-phenylhydrazide
CID 27022
N'-butyl-4-methoxybenzohydrazide
CID 71306436
N'-Cyclopentylidene-4-methoxybenzohydrazide
CID 585501
N'-(4,4,5,5,6,6,6-heptafluoro-1-methyl-3-oxo-1-hexenyl)-3-methoxybenzohydrazide
CID 5753962
N'-[(tert-butoxy)carbonyl]-4-methoxybenzohydrazide
CID 3117725
3-(4-methoxyphenyl)-1H-pyrazol-5-ol
CID 815408
4-Ethoxybenzhydrazide
CID 143561
4-(Benzyloxy)benzohydrazide
CID 1526486
Benzamide, 4-(trifluoromethoxy)-
CID 68013

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide (CID 2869474) is 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide is COc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1.
What is the InChIKey of 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
The InChIKey is MVTRHYVYPOLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-23-10-7-5-9(6-8-10)14(22)20-19-12-4-2-3-11(12)13(21)15(16,17)18/h5-8,19H,2-4H2,1H3,(H,20,22).
What are the key properties of 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide?
4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide has a molecular weight of 328.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide is sourced from PubChem (CID 2869474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).