(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide

C16H15ClN4O3 — CID 135770365

IUPAC(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCC(=N\N=C\c1ccc(O)cc1O)/C(=N/c1ccc(Cl)cc1)NO
InChIInChI=1S/C16H15ClN4O3/c1-10(16(21-24)19-13-5-3-12(17)4-6-13)20-18-9-11-2-7-14(22)8-15(11)23/h2-9,22-24H,1H3,(H,19,21)/b18-9+,20-10+
InChIKeyNLANOAMFOIYLRG-WEUCRPADSA-N
MW346.77 g/mol
LogP3.26
Rot. Bonds4

About (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide

(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide (PubChem CID 135770365) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide.

Molecular Properties

Compound Name(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide
PubChem CID135770365
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCC(=N\N=C\c1ccc(O)cc1O)/C(=N/c1ccc(Cl)cc1)NO
InChIInChI=1S/C16H15ClN4O3/c1-10(16(21-24)19-13-5-3-12(17)4-6-13)20-18-9-11-2-7-14(22)8-15(11)23/h2-9,22-24H,1H3,(H,19,21)/b18-9+,20-10+
InChIKeyNLANOAMFOIYLRG-WEUCRPADSA-N
XLogP3.26
TPSA109.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The IUPAC name of (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide (CID 135770365) is (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide.
What is the SMILES notation for (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The canonical SMILES for (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide is CC(=N\N=C\c1ccc(O)cc1O)/C(=N/c1ccc(Cl)cc1)NO.
What is the InChIKey of (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The InChIKey is NLANOAMFOIYLRG-WEUCRPADSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-10(16(21-24)19-13-5-3-12(17)4-6-13)20-18-9-11-2-7-14(22)8-15(11)23/h2-9,22-24H,1H3,(H,19,21)/b18-9+,20-10+.
What are the key properties of (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide has a molecular weight of 346.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide is sourced from PubChem (CID 135770365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).