3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one

C15H12ClFN2O2 — CID 43095283

IUPAC3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3cc(F)ccc32)cc1Cl
InChIInChI=1S/C15H12ClFN2O2/c1-21-13-5-3-9(7-11(13)16)18-14-10-4-2-8(17)6-12(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyJJEYPIFIOCMIMW-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.59
Rot. Bonds3

About 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one

3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one (PubChem CID 43095283) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one
PubChem CID43095283
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3cc(F)ccc32)cc1Cl
InChIInChI=1S/C15H12ClFN2O2/c1-21-13-5-3-9(7-11(13)16)18-14-10-4-2-8(17)6-12(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyJJEYPIFIOCMIMW-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-2-cyclohexyl-N-(2-phenylethyl)acetamide
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CID 16245675
1-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166627661
2-(4-aminophenyl)-2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one (CID 43095283) is 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one is COc1ccc(NC2C(=O)Nc3cc(F)ccc32)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one?
The InChIKey is JJEYPIFIOCMIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-21-13-5-3-9(7-11(13)16)18-14-10-4-2-8(17)6-12(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one?
3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one has a molecular weight of 306.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyanilino)-6-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43095283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).