phenacyl 6-amino-2,3-dichlorobenzoate

C15H11Cl2NO3 — CID 11324772

IUPACphenacyl 6-amino-2,3-dichlorobenzoate
SMILESNc1ccc(Cl)c(Cl)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C15H11Cl2NO3/c16-10-6-7-11(18)13(14(10)17)15(20)21-8-12(19)9-4-2-1-3-5-9/h1-7H,8,18H2
InChIKeyMKQYZGFQCICDAN-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.62
Rot. Bonds4

About phenacyl 6-amino-2,3-dichlorobenzoate

phenacyl 6-amino-2,3-dichlorobenzoate (PubChem CID 11324772) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is phenacyl 6-amino-2,3-dichlorobenzoate.

Molecular Properties

Compound Namephenacyl 6-amino-2,3-dichlorobenzoate
PubChem CID11324772
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Namephenacyl 6-amino-2,3-dichlorobenzoate
SMILESNc1ccc(Cl)c(Cl)c1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C15H11Cl2NO3/c16-10-6-7-11(18)13(14(10)17)15(20)21-8-12(19)9-4-2-1-3-5-9/h1-7H,8,18H2
InChIKeyMKQYZGFQCICDAN-UHFFFAOYSA-N
XLogP3.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenacyl 6-amino-2,3-dichlorobenzoate?
The IUPAC name of phenacyl 6-amino-2,3-dichlorobenzoate (CID 11324772) is phenacyl 6-amino-2,3-dichlorobenzoate.
What is the SMILES notation for phenacyl 6-amino-2,3-dichlorobenzoate?
The canonical SMILES for phenacyl 6-amino-2,3-dichlorobenzoate is Nc1ccc(Cl)c(Cl)c1C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 6-amino-2,3-dichlorobenzoate?
The InChIKey is MKQYZGFQCICDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-6-7-11(18)13(14(10)17)15(20)21-8-12(19)9-4-2-1-3-5-9/h1-7H,8,18H2.
What are the key properties of phenacyl 6-amino-2,3-dichlorobenzoate?
phenacyl 6-amino-2,3-dichlorobenzoate has a molecular weight of 324.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 6-amino-2,3-dichlorobenzoate is sourced from PubChem (CID 11324772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).