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

C14H9Br2NO4 — CID 107729310

IUPAC4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1cc(Br)ccc1O
InChIInChI=1S/C14H9Br2NO4/c15-7-2-4-12(18)10(5-7)13(19)17-11-6-8(16)1-3-9(11)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyFACNCDJXDPJJNT-UHFFFAOYSA-N
MW415.04 g/mol
LogP3.87
Rot. Bonds3

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

4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107729310) has the molecular formula C14H9Br2NO4 and a molecular weight of 415.04 g/mol. Its IUPAC name is 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
PubChem CID107729310
Molecular FormulaC14H9Br2NO4
Molecular Weight415.04 g/mol
Exact Mass412.89
IUPAC Name4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1cc(Br)ccc1O
InChIInChI=1S/C14H9Br2NO4/c15-7-2-4-12(18)10(5-7)13(19)17-11-6-8(16)1-3-9(11)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyFACNCDJXDPJJNT-UHFFFAOYSA-N
XLogP3.87
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
CID 107798660
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
CID 60916636
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729450
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid (CID 107729310) is 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1cc(Br)ccc1C(=O)O)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is FACNCDJXDPJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO4/c15-7-2-4-12(18)10(5-7)13(19)17-11-6-8(16)1-3-9(11)14(20)21/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 415.04 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107729310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).