N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C15H15N3O6 — CID 9277093

IUPACN'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C15H15N3O6/c1-8-6-11(9(2)24-8)14(19)16-17-15(20)12-7-10(18(21)22)4-5-13(12)23-3/h4-7H,1-3H3,(H,16,19)(H,17,20)
InChIKeyBHSXVLHZZLXBIC-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.89
Rot. Bonds4

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

N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9277093) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9277093
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC NameN'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C15H15N3O6/c1-8-6-11(9(2)24-8)14(19)16-17-15(20)12-7-10(18(21)22)4-5-13(12)23-3/h4-7H,1-3H3,(H,16,19)(H,17,20)
InChIKeyBHSXVLHZZLXBIC-UHFFFAOYSA-N
XLogP1.89
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N'-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]furan-3-carbohydrazide
CID 40676199
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419536
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-2-methoxy-5-nitrobenzohydrazide
CID 9160118
N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2677212
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 9277093) is N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is COc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cc(C)oc1C.
What is the InChIKey of N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is BHSXVLHZZLXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-8-6-11(9(2)24-8)14(19)16-17-15(20)12-7-10(18(21)22)4-5-13(12)23-3/h4-7H,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 333.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9277093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).