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

C15H13FN2O2 — CID 43380600

IUPAC3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccccc32)cc1F
InChIInChI=1S/C15H13FN2O2/c1-20-13-7-6-9(8-11(13)16)17-14-10-4-2-3-5-12(10)18-15(14)19/h2-8,14,17H,1H3,(H,18,19)
InChIKeyRXNNTYBDPQIASK-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.94
Rot. Bonds3

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

3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one (PubChem CID 43380600) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
PubChem CID43380600
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
SMILESCOc1ccc(NC2C(=O)Nc3ccccc32)cc1F
InChIInChI=1S/C15H13FN2O2/c1-20-13-7-6-9(8-11(13)16)17-14-10-4-2-3-5-12(10)18-15(14)19/h2-8,14,17H,1H3,(H,18,19)
InChIKeyRXNNTYBDPQIASK-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.94
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

3-(naphthalen-2-ylamino)-1,3-dihydroindol-2-one
CID 43680278
methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate
CID 43139137
N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700866
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43739009
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
CID 43202027
4-bromo-3-(3-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
CID 43195608
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one (CID 43380600) is 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one is COc1ccc(NC2C(=O)Nc3ccccc32)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
The InChIKey is RXNNTYBDPQIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-20-13-7-6-9(8-11(13)16)17-14-10-4-2-3-5-12(10)18-15(14)19/h2-8,14,17H,1H3,(H,18,19).
What are the key properties of 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one has a molecular weight of 272.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43380600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).