5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide

C13H13N3O4 — CID 91681056

IUPAC5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
SMILESCCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NN)o1
InChIInChI=1S/C13H13N3O4/c1-2-8-7-9(16(18)19)3-4-10(8)11-5-6-12(20-11)13(17)15-14/h3-7H,2,14H2,1H3,(H,15,17)
InChIKeyGXWFBDXEYKKTFM-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.02
Rot. Bonds4

About 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide

5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide (PubChem CID 91681056) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
PubChem CID91681056
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
SMILESCCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NN)o1
InChIInChI=1S/C13H13N3O4/c1-2-8-7-9(16(18)19)3-4-10(8)11-5-6-12(20-11)13(17)15-14/h3-7H,2,14H2,1H3,(H,15,17)
InChIKeyGXWFBDXEYKKTFM-UHFFFAOYSA-N
XLogP2.02
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 91678218
5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
CID 9088085
5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
CID 95911264
5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
CID 2268422
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
5-nitro-1-benzofuran-2-carbohydrazide
CID 30772172
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
5-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
CID 960728

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide?
The IUPAC name of 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide (CID 91681056) is 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide is CCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NN)o1.
What is the InChIKey of 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide?
The InChIKey is GXWFBDXEYKKTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-2-8-7-9(16(18)19)3-4-10(8)11-5-6-12(20-11)13(17)15-14/h3-7H,2,14H2,1H3,(H,15,17).
What are the key properties of 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide?
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide has a molecular weight of 275.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 91681056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).