N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide

C13H11FN2O3 — CID 772287

IUPACN'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-8-11(6-7-19-8)13(18)16-15-12(17)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyPTCDGSPNXGZOGF-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.80
Rot. Bonds2

About N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide

N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide (PubChem CID 772287) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide
PubChem CID772287
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC NameN'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O3/c1-8-11(6-7-19-8)13(18)16-15-12(17)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyPTCDGSPNXGZOGF-UHFFFAOYSA-N
XLogP1.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.80
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'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide (CID 772287) is N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is PTCDGSPNXGZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-11(6-7-19-8)13(18)16-15-12(17)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide?
N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 262.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 772287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).