N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide

C19H18I2N4O2 — CID 54610044

IUPACN-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1ccc(I)cc1)N/N=C\c1ccc(I)cc1
InChIInChI=1S/C19H18I2N4O2/c20-16-8-4-14(5-9-16)12-22-24-18(26)2-1-3-19(27)25-23-13-15-6-10-17(21)11-7-15/h4-13H,1-3H2,(H,24,26)(H,25,27)/b22-12-,23-13+
InChIKeyUDURPWRPCSXESZ-SEKXJNOLSA-N
MW588.19 g/mol
LogP3.67
Rot. Bonds8

About N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide

N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide (PubChem CID 54610044) has the molecular formula C19H18I2N4O2 and a molecular weight of 588.19 g/mol. Its IUPAC name is N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
PubChem CID54610044
Molecular FormulaC19H18I2N4O2
Molecular Weight588.19 g/mol
Exact Mass587.95
IUPAC NameN-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1ccc(I)cc1)N/N=C\c1ccc(I)cc1
InChIInChI=1S/C19H18I2N4O2/c20-16-8-4-14(5-9-16)12-22-24-18(26)2-1-3-19(27)25-23-13-15-6-10-17(21)11-7-15/h4-13H,1-3H2,(H,24,26)(H,25,27)/b22-12-,23-13+
InChIKeyUDURPWRPCSXESZ-SEKXJNOLSA-N
XLogP3.67
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.19
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
CID 4990030
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide?
The IUPAC name of N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide (CID 54610044) is N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide?
The canonical SMILES for N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide is O=C(CCCC(=O)N/N=C/c1ccc(I)cc1)N/N=C\c1ccc(I)cc1.
What is the InChIKey of N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide?
The InChIKey is UDURPWRPCSXESZ-SEKXJNOLSA-N. The full InChI is InChI=1S/C19H18I2N4O2/c20-16-8-4-14(5-9-16)12-22-24-18(26)2-1-3-19(27)25-23-13-15-6-10-17(21)11-7-15/h4-13H,1-3H2,(H,24,26)(H,25,27)/b22-12-,23-13+.
What are the key properties of N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide?
N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide has a molecular weight of 588.19 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 54610044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).