2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide

C15H15N3O5 — CID 4808584

IUPAC2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])c(C)o1
InChIInChI=1S/C15H15N3O5/c1-9-7-12(10(2)23-9)15(20)17-16-14(19)8-11-5-3-4-6-13(11)18(21)22/h3-7H,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJZIIBAGTMULOAE-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.81
Rot. Bonds4

About 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide (PubChem CID 4808584) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide
PubChem CID4808584
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])c(C)o1
InChIInChI=1S/C15H15N3O5/c1-9-7-12(10(2)23-9)15(20)17-16-14(19)8-11-5-3-4-6-13(11)18(21)22/h3-7H,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJZIIBAGTMULOAE-UHFFFAOYSA-N
XLogP1.81
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 3388381
2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
CID 9156552
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
CID 39708207
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
1-(2,5-dimethylfuran-3-yl)-3-(4-nitrophenyl)propane-1,3-dione
CID 43321283
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide (CID 4808584) is 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide?
The InChIKey is JZIIBAGTMULOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-9-7-12(10(2)23-9)15(20)17-16-14(19)8-11-5-3-4-6-13(11)18(21)22/h3-7H,8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide has a molecular weight of 317.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 4808584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).