8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid

C15H20BrNO4 — CID 11646591

IUPAC8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H20BrNO4/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20)
InChIKeyPOISOOGDIHABAG-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.31
Rot. Bonds9

About 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid

8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid (PubChem CID 11646591) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid
PubChem CID11646591
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H20BrNO4/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20)
InChIKeyPOISOOGDIHABAG-UHFFFAOYSA-N
XLogP3.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Salicyluric Acid
CID 10253
N-((1R)-1-(4-bromophenyl)ethyl)-5-fluoro-2-hydroxybenzamide
CID 5496910
Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CID 209651
5-Bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
CID 547207
5-Bromosalicylamide
CID 72876
Salcaprozic Acid
CID 158789
2-Hydroxy-n-(2-phenylethyl)benzamide
CID 222726
N-Propylsalicylamide
CID 81966
N-[3-(4-bromophenyl)acryloyl]-2-hydroxybenzamide
CID 883304
N-cyclooctyl-2-hydroxybenzamide
CID 696449
2-Hydroxy-N-(3-phenyl-propyl)-benzamide
CID 2287872
N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 883303

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid (CID 11646591) is 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid?
The InChIKey is POISOOGDIHABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20).
What are the key properties of 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid?
8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid has a molecular weight of 358.23 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-2-hydroxybenzoyl)amino]octanoic acid is sourced from PubChem (CID 11646591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).