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

C21H16F3N3O — CID 109222608

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C21H16F3N3O/c1-12-10-13-4-2-3-5-18(13)27(12)21(28)17-11-14(8-9-25-17)26-16-7-6-15(22)19(23)20(16)24/h2-9,11-12H,10H2,1H3,(H,25,26)
InChIKeyJJRBVDQKBMBTCC-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.83
Rot. Bonds3

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

(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone (PubChem CID 109222608) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
PubChem CID109222608
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C21H16F3N3O/c1-12-10-13-4-2-3-5-18(13)27(12)21(28)17-11-14(8-9-25-17)26-16-7-6-15(22)19(23)20(16)24/h2-9,11-12H,10H2,1H3,(H,25,26)
InChIKeyJJRBVDQKBMBTCC-UHFFFAOYSA-N
XLogP4.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222586
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222011
(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210859
[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-(3,4-difluoroanilino)-4-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109178919
[6-(3,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112851113
N-(2,4-difluorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109093329
[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109200832
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
CID 136655090

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone (CID 109222608) is (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone is CC1Cc2ccccc2N1C(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
The InChIKey is JJRBVDQKBMBTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c1-12-10-13-4-2-3-5-18(13)27(12)21(28)17-11-14(8-9-25-17)26-16-7-6-15(22)19(23)20(16)24/h2-9,11-12H,10H2,1H3,(H,25,26).
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone has a molecular weight of 383.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109222608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).