6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide

C16H12ClNO3 — CID 78106714

IUPAC6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1(O)Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C16H12ClNO3/c17-11-6-7-13-10(8-11)9-16(21,14(13)19)15(20)18-12-4-2-1-3-5-12/h1-8,21H,9H2,(H,18,20)
InChIKeyZSMYPMDZOGHPJH-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.45
Rot. Bonds2

About 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide

6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide (PubChem CID 78106714) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide
PubChem CID78106714
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1(O)Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C16H12ClNO3/c17-11-6-7-13-10(8-11)9-16(21,14(13)19)15(20)18-12-4-2-1-3-5-12/h1-8,21H,9H2,(H,18,20)
InChIKeyZSMYPMDZOGHPJH-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide?
The IUPAC name of 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide (CID 78106714) is 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide.
What is the SMILES notation for 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide?
The canonical SMILES for 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide is O=C(Nc1ccccc1)C1(O)Cc2cc(Cl)ccc2C1=O.
What is the InChIKey of 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide?
The InChIKey is ZSMYPMDZOGHPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c17-11-6-7-13-10(8-11)9-16(21,14(13)19)15(20)18-12-4-2-1-3-5-12/h1-8,21H,9H2,(H,18,20).
What are the key properties of 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide?
6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide is sourced from PubChem (CID 78106714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).