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

C18H19ClN4O3 — CID 135599765

IUPAC(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCOc1ccc(/C=N/N=C(C)/C(=N/c2ccc(Cl)cc2)NO)c(OC)c1
InChIInChI=1S/C18H19ClN4O3/c1-12(18(23-24)21-15-7-5-14(19)6-8-15)22-20-11-13-4-9-16(25-2)10-17(13)26-3/h4-11,24H,1-3H3,(H,21,23)/b20-11+,22-12+
InChIKeyORMJMGDVTAOEOA-HTAXKFFTSA-N
MW374.83 g/mol
LogP3.86
Rot. Bonds6

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

(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide (PubChem CID 135599765) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide.

Molecular Properties

Compound Name(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide
PubChem CID135599765
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCOc1ccc(/C=N/N=C(C)/C(=N/c2ccc(Cl)cc2)NO)c(OC)c1
InChIInChI=1S/C18H19ClN4O3/c1-12(18(23-24)21-15-7-5-14(19)6-8-15)22-20-11-13-4-9-16(25-2)10-17(13)26-3/h4-11,24H,1-3H3,(H,21,23)/b20-11+,22-12+
InChIKeyORMJMGDVTAOEOA-HTAXKFFTSA-N
XLogP3.86
TPSA87.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The IUPAC name of (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide (CID 135599765) is (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide.
What is the SMILES notation for (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The canonical SMILES for (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide is COc1ccc(/C=N/N=C(C)/C(=N/c2ccc(Cl)cc2)NO)c(OC)c1.
What is the InChIKey of (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The InChIKey is ORMJMGDVTAOEOA-HTAXKFFTSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-12(18(23-24)21-15-7-5-14(19)6-8-15)22-20-11-13-4-9-16(25-2)10-17(13)26-3/h4-11,24H,1-3H3,(H,21,23)/b20-11+,22-12+.
What are the key properties of (2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide?
(2E)-N'-(4-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide has a molecular weight of 374.83 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 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-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide is sourced from PubChem (CID 135599765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).