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

C12H9FN2O3 — CID 5091735

IUPACN'-(2-fluorobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C12H9FN2O3/c13-9-5-2-1-4-8(9)11(16)14-15-12(17)10-6-3-7-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyAJYJULRQVNTSIL-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.49
Rot. Bonds2

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

N'-(2-fluorobenzoyl)furan-2-carbohydrazide (PubChem CID 5091735) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)furan-2-carbohydrazide
PubChem CID5091735
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC NameN'-(2-fluorobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C12H9FN2O3/c13-9-5-2-1-4-8(9)11(16)14-15-12(17)10-6-3-7-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyAJYJULRQVNTSIL-UHFFFAOYSA-N
XLogP1.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.49
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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Related Compounds

N'-[(E)-phenylmethylidene]furan-2-carbohydrazide
CID 6869164
2-Furancarboxylic acid, hydrazide
CID 18731
5-[(3,5-Dimethylphenoxy)methyl]-2-furohydrazide
CID 726923
N'-[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]furan-2-carbohydrazide
CID 6861696
N'-(2-fluorobenzoyl)-2-methyl-3-furohydrazide
CID 2223043
N'-benzoyl-2-furohydrazide
CID 687074
5-bromo-N'-(phenylacetyl)-2-furohydrazide
CID 729926
N'-(3-bromobenzoyl)furan-2-carbohydrazide
CID 795641
Furan-2-carboxylic acid N'-(3-phenyl-acryloyl)-hydrazide
CID 809418
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-furohydrazide
CID 876401
N'-(2-chlorobenzoyl)furan-2-carbohydrazide
CID 911108
N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide
CID 2115504

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)furan-2-carbohydrazide (CID 5091735) is N'-(2-fluorobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccco1.
What is the InChIKey of N'-(2-fluorobenzoyl)furan-2-carbohydrazide?
The InChIKey is AJYJULRQVNTSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-5-2-1-4-8(9)11(16)14-15-12(17)10-6-3-7-18-10/h1-7H,(H,14,16)(H,15,17).
What are the key properties of N'-(2-fluorobenzoyl)furan-2-carbohydrazide?
N'-(2-fluorobenzoyl)furan-2-carbohydrazide has a molecular weight of 248.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 5091735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).