4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

C13H11N3O4 — CID 5332157

IUPAC4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H11N3O4/c1-9-2-4-10(5-3-9)13(17)15-14-8-11-6-7-12(20-11)16(18)19/h2-8H,1H3,(H,15,17)/b14-8+
InChIKeyFUXMMBGEXQTCRJ-RIYZIHGNSA-N
MW273.25 g/mol
LogP2.26
Rot. Bonds4

About 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 5332157) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID5332157
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H11N3O4/c1-9-2-4-10(5-3-9)13(17)15-14-8-11-6-7-12(20-11)16(18)19/h2-8H,1H3,(H,15,17)/b14-8+
InChIKeyFUXMMBGEXQTCRJ-RIYZIHGNSA-N
XLogP2.26
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Nifuroxazide
CID 5337997
Nihydrazone
CID 9561033
Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
N-(5-Nitrofurfurylidenamino)oxamide
CID 6165447
4-fluoro-N'-(3-{5-nitro-2-furyl}acryloyl)benzohydrazide
CID 5411990
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6868899
N'-[(5-bromo-2-furyl)methylene]-3,5-bisnitrobenzohydrazide
CID 9607922
Nifuraldezone
CID 18637
5-Nitro-2-furanacrylic N-(5-nitro-2-furfurylidene)hydrazide
CID 9577606
2,5-dimethyl-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]furan-3-carboxamide
CID 2094278
2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5334509
2,5-dimethyl-N-[(5-nitro-2-furyl)methyleneamino]-3-furamide
CID 6901909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 5332157) is 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is FUXMMBGEXQTCRJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-9-2-4-10(5-3-9)13(17)15-14-8-11-6-7-12(20-11)16(18)19/h2-8H,1H3,(H,15,17)/b14-8+.
What are the key properties of 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 273.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5332157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).