(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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Related Compounds

CID 135599766
CID 135599766
CID 135599767
CID 135599767
CID 135599768
CID 135599768
CID 135599769
CID 135599769
CID 135599775
CID 135599775
CID 135770360
CID 135770360
CID 135770365
CID 135770365
CID 135770366
CID 135770366
CID 3427479
CID 3427479
CID 44440850
CID 44440850
CID 136500420
CID 136500420
CID 136631849
CID 136631849

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).