5-amino-2-(5-bromo-2-chloroanilino)benzoic acid

C13H10BrClN2O2 — CID 55130714

IUPAC5-amino-2-(5-bromo-2-chloroanilino)benzoic acid
SMILESNc1ccc(Nc2cc(Br)ccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C13H10BrClN2O2/c14-7-1-3-10(15)12(5-7)17-11-4-2-8(16)6-9(11)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyXQOOQJOXDCPCMK-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.13
Rot. Bonds3

About 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid

5-amino-2-(5-bromo-2-chloroanilino)benzoic acid (PubChem CID 55130714) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(5-bromo-2-chloroanilino)benzoic acid
PubChem CID55130714
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name5-amino-2-(5-bromo-2-chloroanilino)benzoic acid
SMILESNc1ccc(Nc2cc(Br)ccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C13H10BrClN2O2/c14-7-1-3-10(15)12(5-7)17-11-4-2-8(16)6-9(11)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyXQOOQJOXDCPCMK-UHFFFAOYSA-N
XLogP4.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.13
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-(5-bromo-2-fluoroanilino)benzoic acid
CID 54888186
2-(5-bromo-2-chloroanilino)-5-nitrobenzoic acid
CID 63537696
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
CID 62913398
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-amino-3-chloro-2-(2,5-dibromoanilino)benzoic acid
CID 107194856
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid?
The IUPAC name of 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid (CID 55130714) is 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid.
What is the SMILES notation for 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid?
The canonical SMILES for 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid is Nc1ccc(Nc2cc(Br)ccc2Cl)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid?
The InChIKey is XQOOQJOXDCPCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-7-1-3-10(15)12(5-7)17-11-4-2-8(16)6-9(11)13(18)19/h1-6,17H,16H2,(H,18,19).
What are the key properties of 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid?
5-amino-2-(5-bromo-2-chloroanilino)benzoic acid has a molecular weight of 341.59 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-bromo-2-chloroanilino)benzoic acid is sourced from PubChem (CID 55130714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).