5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid

C15H14Cl2N2O2 — CID 60988922

IUPAC5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid
SMILESNc1ccc(NCCc2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-10-2-1-9(13(17)7-10)5-6-19-14-4-3-11(18)8-12(14)15(20)21/h1-4,7-8,19H,5-6,18H2,(H,20,21)
InChIKeyOIWABFGSHMCVGT-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.93
Rot. Bonds5

About 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid

5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid (PubChem CID 60988922) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid
PubChem CID60988922
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid
SMILESNc1ccc(NCCc2ccc(Cl)cc2Cl)c(C(=O)O)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-10-2-1-9(13(17)7-10)5-6-19-14-4-3-11(18)8-12(14)15(20)21/h1-4,7-8,19H,5-6,18H2,(H,20,21)
InChIKeyOIWABFGSHMCVGT-UHFFFAOYSA-N
XLogP3.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
5-amino-2-[(3-chloro-4-fluorophenyl)methylamino]benzoic acid
CID 62532789
2-[2-(2,4-dichlorophenyl)ethylamino]-3-fluorobenzoic acid
CID 63537644
4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine
CID 28903733
5-amino-2-(2-methylsulfanylethylamino)benzoic acid
CID 63961847
5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
CID 83203951
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 106422577
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106106257
5-chloro-2-(5-hydroxypentylamino)benzoic acid
CID 107317969

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid?
The IUPAC name of 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid (CID 60988922) is 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid is Nc1ccc(NCCc2ccc(Cl)cc2Cl)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid?
The InChIKey is OIWABFGSHMCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-10-2-1-9(13(17)7-10)5-6-19-14-4-3-11(18)8-12(14)15(20)21/h1-4,7-8,19H,5-6,18H2,(H,20,21).
What are the key properties of 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid?
5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid has a molecular weight of 325.20 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 60988922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).