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[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H17F2N3O — CID 109200832

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C21H17F2N3O/c1-13-11-14-5-2-3-8-19(14)26(13)21(27)18-10-9-15(12-24-18)25-20-16(22)6-4-7-17(20)23/h2-10,12-13,25H,11H2,1H3
InChIKeyHOHYRRUFMFKGKQ-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.69
Rot. Bonds3

About [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109200832) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109200832
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C21H17F2N3O/c1-13-11-14-5-2-3-8-19(14)26(13)21(27)18-10-9-15(12-24-18)25-20-16(22)6-4-7-17(20)23/h2-10,12-13,25H,11H2,1H3
InChIKeyHOHYRRUFMFKGKQ-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109200832) is [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HOHYRRUFMFKGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c1-13-11-14-5-2-3-8-19(14)26(13)21(27)18-10-9-15(12-24-18)25-20-16(22)6-4-7-17(20)23/h2-10,12-13,25H,11H2,1H3.
What are the key properties of [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 365.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109200832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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