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

C16H12ClNO2 — CID 10356624

IUPAC2-(4-chloroanilino)-2-methylindene-1,3-dione
SMILESCC1(Nc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-16(18-11-8-6-10(17)7-9-11)14(19)12-4-2-3-5-13(12)15(16)20/h2-9,18H,1H3
InChIKeyOVTGBKIEEXSSKI-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.59
Rot. Bonds2

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

2-(4-chloroanilino)-2-methylindene-1,3-dione (PubChem CID 10356624) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-methylindene-1,3-dione.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-methylindene-1,3-dione
PubChem CID10356624
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-(4-chloroanilino)-2-methylindene-1,3-dione
SMILESCC1(Nc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12ClNO2/c1-16(18-11-8-6-10(17)7-9-11)14(19)12-4-2-3-5-13(12)15(16)20/h2-9,18H,1H3
InChIKeyOVTGBKIEEXSSKI-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((4-Chlorophenyl)amino)naphthalene-1,4-dione
CID 279010
N-(2-chlorophenyl)-9-oxofluorene-1-carboxamide
CID 11530079
2-Chloroanilino-1,4-naphthoquinone
CID 24861930
2-(3-Chloroanilino)-1,4-naphthoquinone
CID 57339353
3-[(4-chlorophenyl)amino]-2-phenyl-1H-inden-1-one
CID 4138335
2-Chloro-3-[(4-chlorophenyl)amino]naphthalene-1,4-dione
CID 265868
2-((4-Chlorophenyl)amino)-3-methylnaphthalene-1,4-dione
CID 57339342
N-{4-[(2-methyl-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)amino]phenyl}acetamide
CID 2835708
2-[(3-Fluoro-4-methylphenyl)amino]-2-phenyl-2,3-dihydro-1H-indene-1,3-dione
CID 8088009
2-[(4-Fluoro-2-methylphenyl)amino]-2-phenyl-2,3-dihydro-1H-indene-1,3-dione
CID 16023324
Vat Red MR
CID 272564
2-[(4-Chlorophenyl)amino]-3-(pyrrolidin-1-YL)-1,4-dihydronaphthalene-1,4-dione
CID 46500624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-methylindene-1,3-dione?
The IUPAC name of 2-(4-chloroanilino)-2-methylindene-1,3-dione (CID 10356624) is 2-(4-chloroanilino)-2-methylindene-1,3-dione.
What is the SMILES notation for 2-(4-chloroanilino)-2-methylindene-1,3-dione?
The canonical SMILES for 2-(4-chloroanilino)-2-methylindene-1,3-dione is CC1(Nc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(4-chloroanilino)-2-methylindene-1,3-dione?
The InChIKey is OVTGBKIEEXSSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-16(18-11-8-6-10(17)7-9-11)14(19)12-4-2-3-5-13(12)15(16)20/h2-9,18H,1H3.
What are the key properties of 2-(4-chloroanilino)-2-methylindene-1,3-dione?
2-(4-chloroanilino)-2-methylindene-1,3-dione has a molecular weight of 285.73 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-methylindene-1,3-dione is sourced from PubChem (CID 10356624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).