4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid

C14H10BrNO4 — CID 107812487

IUPAC4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C14H10BrNO4/c15-11-5-4-9(14(19)20)7-12(11)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyOPGQHHKEEUDYJM-UHFFFAOYSA-N
MW336.14 g/mol
LogP3.11
Rot. Bonds3

About 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid

4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107812487) has the molecular formula C14H10BrNO4 and a molecular weight of 336.14 g/mol. Its IUPAC name is 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid
PubChem CID107812487
Molecular FormulaC14H10BrNO4
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C14H10BrNO4/c15-11-5-4-9(14(19)20)7-12(11)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
InChIKeyOPGQHHKEEUDYJM-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

4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 107812589
3-bromo-4-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702612
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560
CID 174830791
CID 174830791
CID 66671873
CID 66671873
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid (CID 107812487) is 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1ccc(Br)c(NC(=O)c2cccc(O)c2)c1.
What is the InChIKey of 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is OPGQHHKEEUDYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4/c15-11-5-4-9(14(19)20)7-12(11)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20).
What are the key properties of 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid?
4-bromo-3-[(3-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 4-bromo-3-[(3-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107812487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).