3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid

C14H10BrNO4 — CID 5254471

IUPAC3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C14H10BrNO4/c15-9-4-5-12(17)11(7-9)13(18)16-10-3-1-2-8(6-10)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyHGTDFXZBUQYOQC-UHFFFAOYSA-N
MW336.14 g/mol
LogP3.11
Rot. Bonds3

About 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid

3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 5254471) has the molecular formula C14H10BrNO4 and a molecular weight of 336.14 g/mol. Its IUPAC name is 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
PubChem CID5254471
Molecular FormulaC14H10BrNO4
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C14H10BrNO4/c15-9-4-5-12(17)11(7-9)13(18)16-10-3-1-2-8(6-10)14(19)20/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyHGTDFXZBUQYOQC-UHFFFAOYSA-N
XLogP3.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729450
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 107729404
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
3-[[4-bromo-2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]benzoic acid
CID 118714641
3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]benzoic acid
CID 4504881
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
5-bromo-2-[(3-methylphenyl)carbamoyl]benzoic acid
CID 72947684
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid (CID 5254471) is 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cc(Br)ccc2O)c1.
What is the InChIKey of 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is HGTDFXZBUQYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4/c15-9-4-5-12(17)11(7-9)13(18)16-10-3-1-2-8(6-10)14(19)20/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 336.14 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 5254471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).