3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide

C13H11N3O4 — CID 5404081

IUPAC3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H11N3O4/c1-9-3-2-4-10(7-9)13(17)15-14-8-11-5-6-12(20-11)16(18)19/h2-8H,1H3,(H,15,17)/b14-8-
InChIKeyJFWRRQPKLTVAAU-ZSOIEALJSA-N
MW273.25 g/mol
LogP2.26
Rot. Bonds4

About 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide

3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 5404081) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID5404081
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H11N3O4/c1-9-3-2-4-10(7-9)13(17)15-14-8-11-5-6-12(20-11)16(18)19/h2-8H,1H3,(H,15,17)/b14-8-
InChIKeyJFWRRQPKLTVAAU-ZSOIEALJSA-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

3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[(5-nitrofuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2355965
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 5404739
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
N-(2,5-dimethylphenyl)-N'-[(5-nitrofuran-2-yl)methylideneamino]butanediamide
CID 3289301

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 5404081) is 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is Cc1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is JFWRRQPKLTVAAU-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-9-3-2-4-10(7-9)13(17)15-14-8-11-5-6-12(20-11)16(18)19/h2-8H,1H3,(H,15,17)/b14-8-.
What are the key properties of 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
3-methyl-N-[(Z)-(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 3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5404081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).