5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid

C14H9BrClNO4 — CID 43805393

IUPAC5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Br)cc2Cl)ccc1O
InChIInChI=1S/C14H9BrClNO4/c15-7-1-3-9(11(16)5-7)13(19)17-8-2-4-12(18)10(6-8)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyPSFOTWUQMOJCPO-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.76
Rot. Bonds3

About 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid

5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 43805393) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID43805393
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Br)cc2Cl)ccc1O
InChIInChI=1S/C14H9BrClNO4/c15-7-1-3-9(11(16)5-7)13(19)17-8-2-4-12(18)10(6-8)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyPSFOTWUQMOJCPO-UHFFFAOYSA-N
XLogP3.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid (CID 43805393) is 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)c2ccc(Br)cc2Cl)ccc1O.
What is the InChIKey of 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is PSFOTWUQMOJCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-7-1-3-9(11(16)5-7)13(19)17-8-2-4-12(18)10(6-8)14(20)21/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid?
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 370.59 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 43805393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).