2-(4-chloroanilino)-2-hydroxyindene-1,3-dione

C15H10ClNO3 — CID 677857

IUPAC2-(4-chloroanilino)-2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO3/c16-9-5-7-10(8-6-9)17-15(20)13(18)11-3-1-2-4-12(11)14(15)19/h1-8,17,20H
InChIKeyUXHPPGHKNJNLJW-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.52
Rot. Bonds2

About 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione

2-(4-chloroanilino)-2-hydroxyindene-1,3-dione (PubChem CID 677857) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-hydroxyindene-1,3-dione
PubChem CID677857
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-(4-chloroanilino)-2-hydroxyindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClNO3/c16-9-5-7-10(8-6-9)17-15(20)13(18)11-3-1-2-4-12(11)14(15)19/h1-8,17,20H
InChIKeyUXHPPGHKNJNLJW-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione 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

2-(Ethylphenylamino)-2-hydroxy-2-hydrocyclopenta[1,2-a]benzene-1,3-dione
CID 2306367
2-[(4-chlorophenyl)amino]-2-phenyl-1H-indene-1,3(2H)-dione
CID 870684
2-hydroxy-2-(methylanilino)-1H-indene-1,3(2H)-dione
CID 684480
4-chloro-N-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)benzamide
CID 91678847
2-Anilino-2-hydroxy-1H-indene-1,3(2H)-dione
CID 71350023
6-chloro-2-hydroxy-3-oxo-N-phenyl-1H-indene-2-carboxamide
CID 78106714
2-((4-Chlorophenyl)amino)-3-methoxynaphthalene-1,4-dione
CID 936519
2-hydroxy-2-(naphthalen-1-ylamino)-1H-indene-1,3(2H)-dione
CID 3712692
2-(4-Chloroanilino)-2-methylindene-1,3-dione
CID 10356624
2-(4-Chloroanilino)-2-hydroxy-1-phenylethan-1-one
CID 13351401
2-(4-Ethylanilino)-2-hydroxyindene-1,3-dione
CID 21231611
N-(4-chlorophenyl)-2-hydroxy-1,3-dioxoindene-2-carboxamide
CID 44471225

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione (CID 677857) is 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione is O=C1c2ccccc2C(=O)C1(O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione?
The InChIKey is UXHPPGHKNJNLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-9-5-7-10(8-6-9)17-15(20)13(18)11-3-1-2-4-12(11)14(15)19/h1-8,17,20H.
What are the key properties of 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione?
2-(4-chloroanilino)-2-hydroxyindene-1,3-dione has a molecular weight of 287.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 677857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).