1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine

C12H9Cl2N5O3 — CID 136832205

IUPAC1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine
SMILESNC(=N[N+](=O)[O-])NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C12H9Cl2N5O3/c13-7-1-3-9(10(14)5-7)11-4-2-8(22-11)6-16-17-12(15)18-19(20)21/h1-6H,(H3,15,17,18)
InChIKeyWTVNGDRQOANEJS-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.68
Rot. Bonds4

About 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine

1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine (PubChem CID 136832205) has the molecular formula C12H9Cl2N5O3 and a molecular weight of 342.14 g/mol. Its IUPAC name is 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine.

Molecular Properties

Compound Name1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine
PubChem CID136832205
Molecular FormulaC12H9Cl2N5O3
Molecular Weight342.14 g/mol
Exact Mass341.01
IUPAC Name1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine
SMILESNC(=N[N+](=O)[O-])NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C12H9Cl2N5O3/c13-7-1-3-9(10(14)5-7)11-4-2-8(22-11)6-16-17-12(15)18-19(20)21/h1-6H,(H3,15,17,18)
InChIKeyWTVNGDRQOANEJS-UHFFFAOYSA-N
XLogP2.68
TPSA119.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126229875
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]cyclopropanecarboxamide
CID 9234874
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 958818
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 6152553
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180869
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 3105317

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine?
The IUPAC name of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine (CID 136832205) is 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine.
What is the SMILES notation for 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine?
The canonical SMILES for 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine is NC(=N[N+](=O)[O-])NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine?
The InChIKey is WTVNGDRQOANEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5O3/c13-7-1-3-9(10(14)5-7)11-4-2-8(22-11)6-16-17-12(15)18-19(20)21/h1-6H,(H3,15,17,18).
What are the key properties of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine?
1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine has a molecular weight of 342.14 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine is sourced from PubChem (CID 136832205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).