4-amino-3,5-dichlorobenzoyl chloride

C7H4Cl3NO — CID 18371997

IUPAC4-amino-3,5-dichlorobenzoyl chloride
SMILESNc1c(Cl)cc(C(=O)Cl)cc1Cl
InChIInChI=1S/C7H4Cl3NO/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2H,11H2
InChIKeyICZKDMJNSMQIFY-UHFFFAOYSA-N
MW224.47 g/mol
LogP2.95
Rot. Bonds1

About 4-amino-3,5-dichlorobenzoyl chloride

4-amino-3,5-dichlorobenzoyl chloride (PubChem CID 18371997) has the molecular formula C7H4Cl3NO and a molecular weight of 224.47 g/mol. Its IUPAC name is 4-amino-3,5-dichlorobenzoyl chloride.

Molecular Properties

Compound Name4-amino-3,5-dichlorobenzoyl chloride
PubChem CID18371997
Molecular FormulaC7H4Cl3NO
Molecular Weight224.47 g/mol
Exact Mass222.94
IUPAC Name4-amino-3,5-dichlorobenzoyl chloride
SMILESNc1c(Cl)cc(C(=O)Cl)cc1Cl
InChIInChI=1S/C7H4Cl3NO/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2H,11H2
InChIKeyICZKDMJNSMQIFY-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3,5-dichlorobenzoyl chloride 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-amino-3,5-dichlorobenzoyl chloride?
The IUPAC name of 4-amino-3,5-dichlorobenzoyl chloride (CID 18371997) is 4-amino-3,5-dichlorobenzoyl chloride.
What is the SMILES notation for 4-amino-3,5-dichlorobenzoyl chloride?
The canonical SMILES for 4-amino-3,5-dichlorobenzoyl chloride is Nc1c(Cl)cc(C(=O)Cl)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichlorobenzoyl chloride?
The InChIKey is ICZKDMJNSMQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3NO/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2H,11H2.
What are the key properties of 4-amino-3,5-dichlorobenzoyl chloride?
4-amino-3,5-dichlorobenzoyl chloride has a molecular weight of 224.47 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichlorobenzoyl chloride is sourced from PubChem (CID 18371997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).