N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide

C19H16Cl4N4O4 — CID 135509603

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H16Cl4N4O4/c20-12-4-10(18(30)14(22)6-12)8-24-26-16(28)2-1-3-17(29)27-25-9-11-5-13(21)7-15(23)19(11)31/h4-9,30-31H,1-3H2,(H,26,28)(H,27,29)/b24-8-,25-9+
InChIKeyLOZXLJLDVPBUOC-FYKLILKISA-N
MW506.17 g/mol
LogP4.48
Rot. Bonds8

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide (PubChem CID 135509603) has the molecular formula C19H16Cl4N4O4 and a molecular weight of 506.17 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide
PubChem CID135509603
Molecular FormulaC19H16Cl4N4O4
Molecular Weight506.17 g/mol
Exact Mass503.99
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H16Cl4N4O4/c20-12-4-10(18(30)14(22)6-12)8-24-26-16(28)2-1-3-17(29)27-25-9-11-5-13(21)7-15(23)19(11)31/h4-9,30-31H,1-3H2,(H,26,28)(H,27,29)/b24-8-,25-9+
InChIKeyLOZXLJLDVPBUOC-FYKLILKISA-N
XLogP4.48
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.17
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide (CID 135509603) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide is O=C(CCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide?
The InChIKey is LOZXLJLDVPBUOC-FYKLILKISA-N. The full InChI is InChI=1S/C19H16Cl4N4O4/c20-12-4-10(18(30)14(22)6-12)8-24-26-16(28)2-1-3-17(29)27-25-9-11-5-13(21)7-15(23)19(11)31/h4-9,30-31H,1-3H2,(H,26,28)(H,27,29)/b24-8-,25-9+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide has a molecular weight of 506.17 g/mol, XLogP of 4.48, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pentanediamide is sourced from PubChem (CID 135509603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).