2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide

C12H10IN3O2 — CID 1355503

IUPAC2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)NN=Cc1ccc(I)o1
InChIInChI=1S/C12H10IN3O2/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,16,17)
InChIKeyIZJCWCVZWDOYPM-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide

2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide (PubChem CID 1355503) has the molecular formula C12H10IN3O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
PubChem CID1355503
Molecular FormulaC12H10IN3O2
Molecular Weight355.14 g/mol
Exact Mass354.98
IUPAC Name2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)NN=Cc1ccc(I)o1
InChIInChI=1S/C12H10IN3O2/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,16,17)
InChIKeyIZJCWCVZWDOYPM-UHFFFAOYSA-N
XLogP2.23
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812
2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 3395739
methyl 3-[5-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6006584
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
2-amino-N-(ethylideneamino)benzamide
CID 171131868
2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
CID 17245391
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
ethyl 5-[5-[(E)-[(2-aminobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoate
CID 21370945
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915
5-chloro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126028421
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide (CID 1355503) is 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide is Nc1ccccc1C(=O)NN=Cc1ccc(I)o1.
What is the InChIKey of 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide?
The InChIKey is IZJCWCVZWDOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O2/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,16,17).
What are the key properties of 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide?
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide has a molecular weight of 355.14 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 1355503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).