N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

C16H16N2O4 — CID 51229901

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2Cc3ccccc3O2)c(C)o1
InChIInChI=1S/C16H16N2O4/c1-9-7-12(10(2)21-9)15(19)17-18-16(20)14-8-11-5-3-4-6-13(11)22-14/h3-7,14H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXSTQBJBAHVWWNT-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.66
Rot. Bonds2

About N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 51229901) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID51229901
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2Cc3ccccc3O2)c(C)o1
InChIInChI=1S/C16H16N2O4/c1-9-7-12(10(2)21-9)15(19)17-18-16(20)14-8-11-5-3-4-6-13(11)22-14/h3-7,14H,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXSTQBJBAHVWWNT-UHFFFAOYSA-N
XLogP1.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.66
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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Related Compounds

(2R)-N'-(2-fluorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9084789
(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9087960
N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 86874325
(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086711
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 8867215
3-[[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9085488
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (CID 51229901) is N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2Cc3ccccc3O2)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is XSTQBJBAHVWWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-7-12(10(2)21-9)15(19)17-18-16(20)14-8-11-5-3-4-6-13(11)22-14/h3-7,14H,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 300.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 51229901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).