5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid

C15H12BrCl2NO2 — CID 114895419

IUPAC5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2NO2/c1-8(11-4-3-10(17)7-13(11)18)19-14-5-2-9(16)6-12(14)15(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyMSOGIFYLJVXQTF-UHFFFAOYSA-N
MW389.08 g/mol
LogP5.63
Rot. Bonds4

About 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid

5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid (PubChem CID 114895419) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid
PubChem CID114895419
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid
SMILESCC(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2NO2/c1-8(11-4-3-10(17)7-13(11)18)19-14-5-2-9(16)6-12(14)15(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyMSOGIFYLJVXQTF-UHFFFAOYSA-N
XLogP5.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
2-[1-(2,4-dichlorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528171
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
CID 82778357
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-2-nitroaniline
CID 65341957
3-[1-(2,4-dichlorophenyl)ethylamino]-2-nitrobenzoic acid
CID 18467620
5-bromo-2-(3-methylbutan-2-ylamino)benzoic acid
CID 114895417
2-[1-(4-bromophenyl)ethylamino]-4-chlorobenzoic acid
CID 63513944
2-[1-(2,5-dichlorophenyl)ethylamino]benzoic acid
CID 43322111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid?
The IUPAC name of 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid (CID 114895419) is 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid?
The canonical SMILES for 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid is CC(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid?
The InChIKey is MSOGIFYLJVXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-8(11-4-3-10(17)7-13(11)18)19-14-5-2-9(16)6-12(14)15(20)21/h2-8,19H,1H3,(H,20,21).
What are the key properties of 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid?
5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid has a molecular weight of 389.08 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid is sourced from PubChem (CID 114895419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).