8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid

C17H24ClNO4 — CID 126640594

IUPAC8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid
SMILESCCC(CCCCCCC(=O)O)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C17H24ClNO4/c1-2-13(7-5-3-4-6-8-16(21)22)19-17(23)14-11-12(18)9-10-15(14)20/h9-11,13,20H,2-8H2,1H3,(H,19,23)(H,21,22)
InChIKeyGLMOAHUQKRCRNH-UHFFFAOYSA-N
MW341.83 g/mol
LogP3.98
Rot. Bonds10

About 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid

8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid (PubChem CID 126640594) has the molecular formula C17H24ClNO4 and a molecular weight of 341.83 g/mol. Its IUPAC name is 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid.

Molecular Properties

Compound Name8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid
PubChem CID126640594
Molecular FormulaC17H24ClNO4
Molecular Weight341.83 g/mol
Exact Mass341.14
IUPAC Name8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid
SMILESCCC(CCCCCCC(=O)O)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C17H24ClNO4/c1-2-13(7-5-3-4-6-8-16(21)22)19-17(23)14-11-12(18)9-10-15(14)20/h9-11,13,20H,2-8H2,1H3,(H,19,23)(H,21,22)
InChIKeyGLMOAHUQKRCRNH-UHFFFAOYSA-N
XLogP3.98
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(1-cyanobutan-2-yl)-2-hydroxybenzamide
CID 62647939
2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 60832659
8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
CID 175912577
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
5-chloro-N-hexan-3-yl-2-hydrazinylbenzamide
CID 62235669
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166

Frequently Asked Questions

What is the IUPAC name of 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid?
The IUPAC name of 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid (CID 126640594) is 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid.
What is the SMILES notation for 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid?
The canonical SMILES for 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid is CCC(CCCCCCC(=O)O)NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid?
The InChIKey is GLMOAHUQKRCRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-2-13(7-5-3-4-6-8-16(21)22)19-17(23)14-11-12(18)9-10-15(14)20/h9-11,13,20H,2-8H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid?
8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid has a molecular weight of 341.83 g/mol, XLogP of 3.98, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid is sourced from PubChem (CID 126640594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).