N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide

C14H14N2O3 — CID 4808565

IUPACN'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C14H14N2O3/c1-9-8-12(10(2)19-9)14(18)16-15-13(17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyYCMZWSNKYBRWBW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.97
Rot. Bonds2

About N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide

N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 4808565) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
PubChem CID4808565
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C14H14N2O3/c1-9-8-12(10(2)19-9)14(18)16-15-13(17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyYCMZWSNKYBRWBW-UHFFFAOYSA-N
XLogP1.97
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.97
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

1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277099
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
N'-(2,5-dimethylfuran-3-carbonyl)-3-phenyl-2,1-benzoxazole-5-carbohydrazide
CID 9277216
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide (CID 4808565) is N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccccc2)c(C)o1.
What is the InChIKey of N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is YCMZWSNKYBRWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-8-12(10(2)19-9)14(18)16-15-13(17)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide?
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 258.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 4808565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).