5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide

C13H20ClN3O — CID 67067303

IUPAC5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide
SMILESCN(C)c1ccc(C(CCCCl)C(=O)NN)cc1
InChIInChI=1S/C13H20ClN3O/c1-17(2)11-7-5-10(6-8-11)12(4-3-9-14)13(18)16-15/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyJIYQXZMAURZBCC-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.85
Rot. Bonds6

About 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide

5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide (PubChem CID 67067303) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide.

Molecular Properties

Compound Name5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide
PubChem CID67067303
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide
SMILESCN(C)c1ccc(C(CCCCl)C(=O)NN)cc1
InChIInChI=1S/C13H20ClN3O/c1-17(2)11-7-5-10(6-8-11)12(4-3-9-14)13(18)16-15/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyJIYQXZMAURZBCC-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide?
The IUPAC name of 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide (CID 67067303) is 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide.
What is the SMILES notation for 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide?
The canonical SMILES for 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide is CN(C)c1ccc(C(CCCCl)C(=O)NN)cc1.
What is the InChIKey of 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide?
The InChIKey is JIYQXZMAURZBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-17(2)11-7-5-10(6-8-11)12(4-3-9-14)13(18)16-15/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide?
5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide has a molecular weight of 269.78 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide is sourced from PubChem (CID 67067303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).