4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide

C13H17ClN2O4 — CID 166732224

IUPAC4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide
SMILESCCOC(OCC)C(=O)N(N)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4/c1-3-19-13(20-4-2)12(18)16(15)11(17)9-5-7-10(14)8-6-9/h5-8,13H,3-4,15H2,1-2H3
InChIKeyQDSCUXWJOXFOFN-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.58
Rot. Bonds6

About 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide

4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide (PubChem CID 166732224) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide
PubChem CID166732224
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide
SMILESCCOC(OCC)C(=O)N(N)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4/c1-3-19-13(20-4-2)12(18)16(15)11(17)9-5-7-10(14)8-6-9/h5-8,13H,3-4,15H2,1-2H3
InChIKeyQDSCUXWJOXFOFN-UHFFFAOYSA-N
XLogP1.58
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide?
The IUPAC name of 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide (CID 166732224) is 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide?
The canonical SMILES for 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide is CCOC(OCC)C(=O)N(N)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide?
The InChIKey is QDSCUXWJOXFOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-3-19-13(20-4-2)12(18)16(15)11(17)9-5-7-10(14)8-6-9/h5-8,13H,3-4,15H2,1-2H3.
What are the key properties of 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide?
4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide has a molecular weight of 300.74 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide is sourced from PubChem (CID 166732224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).