N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C14H12F2N2O3 — CID 4808606

IUPACN'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(F)cc(F)c2)c(C)o1
InChIInChI=1S/C14H12F2N2O3/c1-7-3-12(8(2)21-7)14(20)18-17-13(19)9-4-10(15)6-11(16)5-9/h3-6H,1-2H3,(H,17,19)(H,18,20)
InChIKeyFPCGWFYIKJKACF-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.25
Rot. Bonds2

About N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 4808606) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID4808606
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC NameN'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(F)cc(F)c2)c(C)o1
InChIInChI=1S/C14H12F2N2O3/c1-7-3-12(8(2)21-7)14(20)18-17-13(19)9-4-10(15)6-11(16)5-9/h3-6H,1-2H3,(H,17,19)(H,18,20)
InChIKeyFPCGWFYIKJKACF-UHFFFAOYSA-N
XLogP2.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.25
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'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 51168686
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 55597383
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 4808606) is N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(F)cc(F)c2)c(C)o1.
What is the InChIKey of N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is FPCGWFYIKJKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-7-3-12(8(2)21-7)14(20)18-17-13(19)9-4-10(15)6-11(16)5-9/h3-6H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 294.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 4808606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).