(2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide

C16H15ClN4O2 — CID 135770358

IUPAC(2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide
SMILESCC(=N\N=C\c1ccccc1O)/C(=N/c1cccc(Cl)c1)NO
InChIInChI=1S/C16H15ClN4O2/c1-11(20-18-10-12-5-2-3-8-15(12)22)16(21-23)19-14-7-4-6-13(17)9-14/h2-10,22-23H,1H3,(H,19,21)/b18-10+,20-11+
InChIKeyFKMPFZSTLAEDPN-BFLVDURVSA-N
MW330.78 g/mol
LogP3.55
Rot. Bonds4

About (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide

(2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide (PubChem CID 135770358) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide.

Molecular Properties

Compound Name(2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide
PubChem CID135770358
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name(2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide
SMILESCC(=N\N=C\c1ccccc1O)/C(=N/c1cccc(Cl)c1)NO
InChIInChI=1S/C16H15ClN4O2/c1-11(20-18-10-12-5-2-3-8-15(12)22)16(21-23)19-14-7-4-6-13(17)9-14/h2-10,22-23H,1H3,(H,19,21)/b18-10+,20-11+
InChIKeyFKMPFZSTLAEDPN-BFLVDURVSA-N
XLogP3.55
TPSA89.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide?
The IUPAC name of (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide (CID 135770358) is (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide.
What is the SMILES notation for (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide?
The canonical SMILES for (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide is CC(=N\N=C\c1ccccc1O)/C(=N/c1cccc(Cl)c1)NO.
What is the InChIKey of (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide?
The InChIKey is FKMPFZSTLAEDPN-BFLVDURVSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-11(20-18-10-12-5-2-3-8-15(12)22)16(21-23)19-14-7-4-6-13(17)9-14/h2-10,22-23H,1H3,(H,19,21)/b18-10+,20-11+.
What are the key properties of (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide?
(2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide has a molecular weight of 330.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide is sourced from PubChem (CID 135770358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).