N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide

C16H15FN2O4 — CID 877285

IUPACN'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c1-22-12-4-3-5-13(23-2)14(12)16(21)19-18-15(20)10-6-8-11(17)9-7-10/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyIXSLMBGFCHPXLZ-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.92
Rot. Bonds4

About N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide

N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide (PubChem CID 877285) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide
PubChem CID877285
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide
SMILESCOc1cccc(OC)c1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c1-22-12-4-3-5-13(23-2)14(12)16(21)19-18-15(20)10-6-8-11(17)9-7-10/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyIXSLMBGFCHPXLZ-UHFFFAOYSA-N
XLogP1.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide (CID 877285) is N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide is COc1cccc(OC)c1C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide?
The InChIKey is IXSLMBGFCHPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-22-12-4-3-5-13(23-2)14(12)16(21)19-18-15(20)10-6-8-11(17)9-7-10/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide?
N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide has a molecular weight of 318.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-2,6-dimethoxybenzohydrazide is sourced from PubChem (CID 877285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).