2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid

C15H14ClNO4 — CID 60860870

IUPAC2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid
SMILESO=C(O)c1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1Cl
InChIInChI=1S/C15H14ClNO4/c16-11-4-3-9(7-10(11)13(19)20)17-12(18)8-15(14(17)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,19,20)
InChIKeyFNKLLIVKJNTTOD-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.86
Rot. Bonds2

About 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid

2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid (PubChem CID 60860870) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid
PubChem CID60860870
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid
SMILESO=C(O)c1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1Cl
InChIInChI=1S/C15H14ClNO4/c16-11-4-3-9(7-10(11)13(19)20)17-12(18)8-15(14(17)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,19,20)
InChIKeyFNKLLIVKJNTTOD-UHFFFAOYSA-N
XLogP2.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid (CID 60860870) is 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid is O=C(O)c1cc(N2C(=O)CC3(CCCC3)C2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid?
The InChIKey is FNKLLIVKJNTTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c16-11-4-3-9(7-10(11)13(19)20)17-12(18)8-15(14(17)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,19,20).
What are the key properties of 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid?
2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid has a molecular weight of 307.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid is sourced from PubChem (CID 60860870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).