3-amino-4-chlorobenzohydrazide

C7H8ClN3O — CID 63991203

IUPAC3-amino-4-chlorobenzohydrazide
SMILESNNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,9-10H2,(H,11,12)
InChIKeyVXHRWNDGMZQEDF-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.53
Rot. Bonds1

About 3-amino-4-chlorobenzohydrazide

3-amino-4-chlorobenzohydrazide (PubChem CID 63991203) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 3-amino-4-chlorobenzohydrazide.

Molecular Properties

Compound Name3-amino-4-chlorobenzohydrazide
PubChem CID63991203
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name3-amino-4-chlorobenzohydrazide
SMILESNNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,9-10H2,(H,11,12)
InChIKeyVXHRWNDGMZQEDF-UHFFFAOYSA-N
XLogP0.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-chlorobenzohydrazide 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 3-amino-4-chlorobenzohydrazide?
The IUPAC name of 3-amino-4-chlorobenzohydrazide (CID 63991203) is 3-amino-4-chlorobenzohydrazide.
What is the SMILES notation for 3-amino-4-chlorobenzohydrazide?
The canonical SMILES for 3-amino-4-chlorobenzohydrazide is NNC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chlorobenzohydrazide?
The InChIKey is VXHRWNDGMZQEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,9-10H2,(H,11,12).
What are the key properties of 3-amino-4-chlorobenzohydrazide?
3-amino-4-chlorobenzohydrazide has a molecular weight of 185.61 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chlorobenzohydrazide is sourced from PubChem (CID 63991203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).