5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid

C15H11BrClNO4 — CID 28667958

IUPAC5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(Br)ccc2Cl)cc(C(=O)O)c1O
InChIInChI=1S/C15H11BrClNO4/c1-7-4-9(6-11(13(7)19)15(21)22)18-14(20)10-5-8(16)2-3-12(10)17/h2-6,19H,1H3,(H,18,20)(H,21,22)
InChIKeyXLKNJBVVKXNNJJ-UHFFFAOYSA-N
MW384.61 g/mol
LogP4.07
Rot. Bonds3

About 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid

5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid (PubChem CID 28667958) has the molecular formula C15H11BrClNO4 and a molecular weight of 384.61 g/mol. Its IUPAC name is 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
PubChem CID28667958
Molecular FormulaC15H11BrClNO4
Molecular Weight384.61 g/mol
Exact Mass382.96
IUPAC Name5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(Br)ccc2Cl)cc(C(=O)O)c1O
InChIInChI=1S/C15H11BrClNO4/c1-7-4-9(6-11(13(7)19)15(21)22)18-14(20)10-5-8(16)2-3-12(10)17/h2-6,19H,1H3,(H,18,20)(H,21,22)
InChIKeyXLKNJBVVKXNNJJ-UHFFFAOYSA-N
XLogP4.07
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 54.07
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

5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-2-hydroxy-3-methylbenzoic acid
CID 28687761
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
2-hydroxy-3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]benzoic acid
CID 28674815
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
4-bromo-N-(4-hydroxy-3,5-dimethylphenyl)benzamide
CID 5241422

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
The IUPAC name of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid (CID 28667958) is 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid is Cc1cc(NC(=O)c2cc(Br)ccc2Cl)cc(C(=O)O)c1O.
What is the InChIKey of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
The InChIKey is XLKNJBVVKXNNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO4/c1-7-4-9(6-11(13(7)19)15(21)22)18-14(20)10-5-8(16)2-3-12(10)17/h2-6,19H,1H3,(H,18,20)(H,21,22).
What are the key properties of 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid?
5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid has a molecular weight of 384.61 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 28667958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).