[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H17F2N3O — CID 109222586

IUPAC[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C21H17F2N3O/c1-13-10-14-4-2-3-5-20(14)26(13)21(27)19-12-16(8-9-24-19)25-18-7-6-15(22)11-17(18)23/h2-9,11-13H,10H2,1H3,(H,24,25)
InChIKeyAVBUOPQPXAEAIW-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.69
Rot. Bonds3

About [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109222586) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109222586
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C21H17F2N3O/c1-13-10-14-4-2-3-5-20(14)26(13)21(27)19-12-16(8-9-24-19)25-18-7-6-15(22)11-17(18)23/h2-9,11-13H,10H2,1H3,(H,24,25)
InChIKeyAVBUOPQPXAEAIW-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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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109222608
N-(2,4-difluorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109093329
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222011
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210859
N-(2,4-difluorophenyl)-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109109041
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109200832
[2-(3,4-difluoroanilino)-4-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109178919
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109222586) is [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cc(Nc2ccc(F)cc2F)ccn1.
What is the InChIKey of [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is AVBUOPQPXAEAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c1-13-10-14-4-2-3-5-20(14)26(13)21(27)19-12-16(8-9-24-19)25-18-7-6-15(22)11-17(18)23/h2-9,11-13H,10H2,1H3,(H,24,25).
What are the key properties of [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-(2,4-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 [4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109222586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).