2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid

C15H13Cl2NO2 — CID 43322111

IUPAC2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(12-8-10(16)6-7-13(12)17)18-14-5-3-2-4-11(14)15(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyAGSZKKXNAJADLV-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.86
Rot. Bonds4

About 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid

2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid (PubChem CID 43322111) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
PubChem CID43322111
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccccc1C(=O)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(12-8-10(16)6-7-13(12)17)18-14-5-3-2-4-11(14)15(19)20/h2-9,18H,1H3,(H,19,20)
InChIKeyAGSZKKXNAJADLV-UHFFFAOYSA-N
XLogP4.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 43322123
2-[1-(3,4-dichlorophenyl)ethylamino]benzoic acid
CID 43139536
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
CID 43322121
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
3-[1-(2,4-dichlorophenyl)ethylamino]-2-nitrobenzoic acid
CID 18467620
2-[1-(2,4-dichlorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528171
5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid
CID 114895419
2-[1-(2,4-dichlorophenyl)ethylamino]benzenecarbothioamide
CID 43102436
2-[1-(2,6-difluorophenyl)ethylamino]benzoic acid
CID 43322120

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid (CID 43322111) is 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid is CC(Nc1ccccc1C(=O)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid?
The InChIKey is AGSZKKXNAJADLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9(12-8-10(16)6-7-13(12)17)18-14-5-3-2-4-11(14)15(19)20/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid?
2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid has a molecular weight of 310.18 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 43322111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).