N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide

C19H14IN5O2 — CID 135429745

IUPACN'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(/N=N/C(=N\Nc2ccc(I)cc2)c2ccccc2)cc1
InChIInChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,21H/b23-19-,24-22+
InChIKeyBWJJSYVJOLHQFF-IEDQNEBGSA-N
MW471.26 g/mol
LogP5.76
Rot. Bonds5

About N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide

N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide (PubChem CID 135429745) has the molecular formula C19H14IN5O2 and a molecular weight of 471.26 g/mol. Its IUPAC name is N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide
PubChem CID135429745
Molecular FormulaC19H14IN5O2
Molecular Weight471.26 g/mol
Exact Mass471.02
IUPAC NameN'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(/N=N/C(=N\Nc2ccc(I)cc2)c2ccccc2)cc1
InChIInChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,21H/b23-19-,24-22+
InChIKeyBWJJSYVJOLHQFF-IEDQNEBGSA-N
XLogP5.76
TPSA92.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.26
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Iodonitrotetrazolium violet
CID 64957
Benzaldehyde, 2-(4-nitrophenyl)hydrazone
CID 6436771
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium
CID 64958
1-(3-Aminophenyl)ethanone (4-nitrophenyl)hydrazone
CID 5717050
N-(4-Nitro-phenyl)-N'-[1-phenyl-prop-(E)-ylidene]-hydrazine
CID 6385751
1-(4-Aminophenyl)ethanone (4-nitrophenyl)hydrazone
CID 9584783
N-[(E)-[(E)-3-(4-nitrophenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 102143298
1,3,5-Triphenylformazan
CID 5463277
BENZOYL CHLORIDE, (p-NITROPHENYL)HYDRAZONE
CID 5382428
1-(4-Nitrophenyl)-2-[(3-nitrophenyl)methylidene]hydrazine
CID 253353
Diazene, phenyl[phenyl(phenylhydrazono)methyl]-
CID 68274
N-(benzylideneamino)-4-nitroaniline
CID 96671

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide?
The IUPAC name of N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide (CID 135429745) is N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide.
What is the SMILES notation for N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide?
The canonical SMILES for N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide is O=[N+]([O-])c1ccc(/N=N/C(=N\Nc2ccc(I)cc2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide?
The InChIKey is BWJJSYVJOLHQFF-IEDQNEBGSA-N. The full InChI is InChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,21H/b23-19-,24-22+.
What are the key properties of N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide?
N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide has a molecular weight of 471.26 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide is sourced from PubChem (CID 135429745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).