N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide

C15H13FN2O3 — CID 790093

IUPACN'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O3/c1-21-13-7-3-5-11(9-13)15(20)18-17-14(19)10-4-2-6-12(16)8-10/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyXXIJDSORZUNDMY-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.91
Rot. Bonds3

About N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide

N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide (PubChem CID 790093) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
PubChem CID790093
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O3/c1-21-13-7-3-5-11(9-13)15(20)18-17-14(19)10-4-2-6-12(16)8-10/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyXXIJDSORZUNDMY-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide?
The IUPAC name of N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide (CID 790093) is N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide?
The canonical SMILES for N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide is COc1cccc(C(=O)NNC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide?
The InChIKey is XXIJDSORZUNDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-21-13-7-3-5-11(9-13)15(20)18-17-14(19)10-4-2-6-12(16)8-10/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide?
N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide has a molecular weight of 288.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide is sourced from PubChem (CID 790093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).