2-(2-methoxyanilino)-2-phenylindene-1,3-dione

C22H17NO3 — CID 631229

IUPAC2-(2-methoxyanilino)-2-phenylindene-1,3-dione
SMILESCOc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17NO3/c1-26-19-14-8-7-13-18(19)23-22(15-9-3-2-4-10-15)20(24)16-11-5-6-12-17(16)21(22)25/h2-14,23H,1H3
InChIKeyIZGKPJDRTILMOI-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.08
Rot. Bonds4

About 2-(2-methoxyanilino)-2-phenylindene-1,3-dione

2-(2-methoxyanilino)-2-phenylindene-1,3-dione (PubChem CID 631229) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2-phenylindene-1,3-dione
PubChem CID631229
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-(2-methoxyanilino)-2-phenylindene-1,3-dione
SMILESCOc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17NO3/c1-26-19-14-8-7-13-18(19)23-22(15-9-3-2-4-10-15)20(24)16-11-5-6-12-17(16)21(22)25/h2-14,23H,1H3
InChIKeyIZGKPJDRTILMOI-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(2-methylanilino)-2-phenylindene-1,3-dione
CID 827717
2-(4-fluoroanilino)-2-(4-methoxyphenyl)indene-1,3-dione
CID 22432792
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
4-fluoro-3-(2-methoxyanilino)-3-(4-methylphenyl)-2-benzofuran-1-one
CID 122678023
2-methoxy-N-phenylaniline
CID 10910514
3-(3,4-dimethylphenyl)-4-fluoro-3-(2-methoxyanilino)-2-benzofuran-1-one
CID 122678032
3-(2-methoxyanilino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 60993873
(2-methoxyanilino)methanone
CID 91159074
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2-phenylindene-1,3-dione?
The IUPAC name of 2-(2-methoxyanilino)-2-phenylindene-1,3-dione (CID 631229) is 2-(2-methoxyanilino)-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-(2-methoxyanilino)-2-phenylindene-1,3-dione?
The canonical SMILES for 2-(2-methoxyanilino)-2-phenylindene-1,3-dione is COc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methoxyanilino)-2-phenylindene-1,3-dione?
The InChIKey is IZGKPJDRTILMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-26-19-14-8-7-13-18(19)23-22(15-9-3-2-4-10-15)20(24)16-11-5-6-12-17(16)21(22)25/h2-14,23H,1H3.
What are the key properties of 2-(2-methoxyanilino)-2-phenylindene-1,3-dione?
2-(2-methoxyanilino)-2-phenylindene-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2-phenylindene-1,3-dione is sourced from PubChem (CID 631229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).