(2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide

C18H20ClN5O — CID 135599771

IUPAC(2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCC(=N\N=C\c1ccc(N(C)C)cc1)/C(=N/c1ccc(Cl)cc1)NO
InChIInChI=1S/C18H20ClN5O/c1-13(18(23-25)21-16-8-6-15(19)7-9-16)22-20-12-14-4-10-17(11-5-14)24(2)3/h4-12,25H,1-3H3,(H,21,23)/b20-12+,22-13+
InChIKeyOMGPTMHMCPJWTI-OQQHTXQFSA-N
MW357.85 g/mol
LogP3.91
Rot. Bonds5

About (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide

(2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide (PubChem CID 135599771) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide.

Molecular Properties

Compound Name(2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide
PubChem CID135599771
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name(2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCC(=N\N=C\c1ccc(N(C)C)cc1)/C(=N/c1ccc(Cl)cc1)NO
InChIInChI=1S/C18H20ClN5O/c1-13(18(23-25)21-16-8-6-15(19)7-9-16)22-20-12-14-4-10-17(11-5-14)24(2)3/h4-12,25H,1-3H3,(H,21,23)/b20-12+,22-13+
InChIKeyOMGPTMHMCPJWTI-OQQHTXQFSA-N
XLogP3.91
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The IUPAC name of (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide (CID 135599771) is (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide.
What is the SMILES notation for (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The canonical SMILES for (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide is CC(=N\N=C\c1ccc(N(C)C)cc1)/C(=N/c1ccc(Cl)cc1)NO.
What is the InChIKey of (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide?
The InChIKey is OMGPTMHMCPJWTI-OQQHTXQFSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-13(18(23-25)21-16-8-6-15(19)7-9-16)22-20-12-14-4-10-17(11-5-14)24(2)3/h4-12,25H,1-3H3,(H,21,23)/b20-12+,22-13+.
What are the key properties of (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide?
(2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide has a molecular weight of 357.85 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide is sourced from PubChem (CID 135599771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).