4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid

C15H12BrNO4 — CID 171484439

IUPAC4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cc(Br)ccc1O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12BrNO4/c16-11-3-6-13(18)10(7-11)8-14(19)17-12-4-1-9(2-5-12)15(20)21/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeyVPAFDBXOZAIBDG-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.03
Rot. Bonds4

About 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid

4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid (PubChem CID 171484439) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid
PubChem CID171484439
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cc(Br)ccc1O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12BrNO4/c16-11-3-6-13(18)10(7-11)8-14(19)17-12-4-1-9(2-5-12)15(20)21/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeyVPAFDBXOZAIBDG-UHFFFAOYSA-N
XLogP3.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-hydroxyphenyl)methylamino]benzoic acid
CID 70545209
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
4-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid
CID 43321641
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
2-acetyloxy-5-[(5-bromo-2-hydroxyphenyl)methylamino]benzoic acid
CID 141230693
4-[[(5-bromo-2-methylphenyl)methylamino]methyl]benzoic acid
CID 115221859
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
3-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]-N-(1-imino-2-methanimidoylbut-3-en-2-yl)benzamide
CID 163966841
4-[[2-(2-benzoyl-4-bromoanilino)acetyl]amino]benzoic acid
CID 4500113
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid (CID 171484439) is 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid is O=C(Cc1cc(Br)ccc1O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is VPAFDBXOZAIBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c16-11-3-6-13(18)10(7-11)8-14(19)17-12-4-1-9(2-5-12)15(20)21/h1-7,18H,8H2,(H,17,19)(H,20,21).
What are the key properties of 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid?
4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 350.17 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-bromo-2-hydroxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 171484439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).