5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid

C15H12ClNO5 — CID 20566407

IUPAC5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid
SMILESCC(=O)N(Oc1ccc(Cl)cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H12ClNO5/c1-9(18)17(22-12-5-2-10(16)3-6-12)11-4-7-14(19)13(8-11)15(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyYHDVJGCEAKSECE-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.09
Rot. Bonds4

About 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid

5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid (PubChem CID 20566407) has the molecular formula C15H12ClNO5 and a molecular weight of 321.72 g/mol. Its IUPAC name is 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid
PubChem CID20566407
Molecular FormulaC15H12ClNO5
Molecular Weight321.72 g/mol
Exact Mass321.04
IUPAC Name5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid
SMILESCC(=O)N(Oc1ccc(Cl)cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H12ClNO5/c1-9(18)17(22-12-5-2-10(16)3-6-12)11-4-7-14(19)13(8-11)15(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyYHDVJGCEAKSECE-UHFFFAOYSA-N
XLogP3.09
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid (CID 20566407) is 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid is CC(=O)N(Oc1ccc(Cl)cc1)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid?
The InChIKey is YHDVJGCEAKSECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO5/c1-9(18)17(22-12-5-2-10(16)3-6-12)11-4-7-14(19)13(8-11)15(20)21/h2-8,19H,1H3,(H,20,21).
What are the key properties of 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid?
5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid has a molecular weight of 321.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl-(4-chlorophenoxy)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 20566407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).