N'-(3-nitrobenzoyl)furan-2-carbohydrazide

C12H9N3O5 — CID 3127339

IUPACN'-(3-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O5/c16-11(8-3-1-4-9(7-8)15(18)19)13-14-12(17)10-5-2-6-20-10/h1-7H,(H,13,16)(H,14,17)
InChIKeyUHUUUMCOFAXUCX-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.26
Rot. Bonds3

About N'-(3-nitrobenzoyl)furan-2-carbohydrazide

N'-(3-nitrobenzoyl)furan-2-carbohydrazide (PubChem CID 3127339) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is N'-(3-nitrobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-nitrobenzoyl)furan-2-carbohydrazide
PubChem CID3127339
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC NameN'-(3-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H9N3O5/c16-11(8-3-1-4-9(7-8)15(18)19)13-14-12(17)10-5-2-6-20-10/h1-7H,(H,13,16)(H,14,17)
InChIKeyUHUUUMCOFAXUCX-UHFFFAOYSA-N
XLogP1.26
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.26
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

N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 27154833
N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
CID 135347144
N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-[(E)-1-(furan-2-yl)-3-[2-(3-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 56692594
5-(dimethoxymethyl)-N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 100610624
2-benzyl-N'-(3-nitrobenzoyl)benzohydrazide
CID 27662653
N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 3548289
2-bromo-N'-(3-nitrobenzoyl)benzohydrazide
CID 3817940
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916

Frequently Asked Questions

What is the IUPAC name of N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-nitrobenzoyl)furan-2-carbohydrazide (CID 3127339) is N'-(3-nitrobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-nitrobenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
The InChIKey is UHUUUMCOFAXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O5/c16-11(8-3-1-4-9(7-8)15(18)19)13-14-12(17)10-5-2-6-20-10/h1-7H,(H,13,16)(H,14,17).
What are the key properties of N'-(3-nitrobenzoyl)furan-2-carbohydrazide?
N'-(3-nitrobenzoyl)furan-2-carbohydrazide has a molecular weight of 275.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nitrobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 3127339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).