N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide

C19H15FN2O4 — CID 26025927

IUPACN'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1occc1COc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H15FN2O4/c20-16-9-5-4-8-15(16)18(23)21-22-19(24)17-13(10-11-25-17)12-26-14-6-2-1-3-7-14/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyLZEQRTBKBBYPMB-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.07
Rot. Bonds5

About N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide

N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 26025927) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID26025927
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC NameN'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1occc1COc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H15FN2O4/c20-16-9-5-4-8-15(16)18(23)21-22-19(24)17-13(10-11-25-17)12-26-14-6-2-1-3-7-14/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyLZEQRTBKBBYPMB-UHFFFAOYSA-N
XLogP3.07
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.07
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'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide (CID 26025927) is N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide is O=C(NNC(=O)c1occc1COc1ccccc1)c1ccccc1F.
What is the InChIKey of N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is LZEQRTBKBBYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-16-9-5-4-8-15(16)18(23)21-22-19(24)17-13(10-11-25-17)12-26-14-6-2-1-3-7-14/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide?
N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 354.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-3-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 26025927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).