2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid

C15H11Cl2NO3 — CID 13408197

IUPAC2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-9-4-5-10(12(17)7-9)15(21)11-3-1-2-8(14(11)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)
InChIKeyXGPCBYFVNCLKKQ-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.43
Rot. Bonds4

About 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid

2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid (PubChem CID 13408197) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid
PubChem CID13408197
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO3/c16-9-4-5-10(12(17)7-9)15(21)11-3-1-2-8(14(11)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20)
InChIKeyXGPCBYFVNCLKKQ-UHFFFAOYSA-N
XLogP3.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid?
The IUPAC name of 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid (CID 13408197) is 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid is Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid?
The InChIKey is XGPCBYFVNCLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-9-4-5-10(12(17)7-9)15(21)11-3-1-2-8(14(11)18)6-13(19)20/h1-5,7H,6,18H2,(H,19,20).
What are the key properties of 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid?
2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid has a molecular weight of 324.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2,4-dichlorobenzoyl)phenyl]acetic acid is sourced from PubChem (CID 13408197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).