2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C18H19FN2O — CID 9099723

IUPAC2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1ccc(F)cc1NCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C18H19FN2O/c1-12-7-8-15(19)10-16(12)20-11-18(22)21-13(2)9-14-5-3-4-6-17(14)21/h3-8,10,13,20H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyVLVRGAZRXQQPRO-CYBMUJFWSA-N
MW298.36 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 9099723) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID9099723
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1ccc(F)cc1NCC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C18H19FN2O/c1-12-7-8-15(19)10-16(12)20-11-18(22)21-13(2)9-14-5-3-4-6-17(14)21/h3-8,10,13,20H,9,11H2,1-2H3/t13-/m1/s1
InChIKeyVLVRGAZRXQQPRO-CYBMUJFWSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
2-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-phenoxyanilino)ethanone
CID 2468474
4-fluoro-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001078
N-(5-fluoro-2-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 18084849
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 113001141

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 9099723) is 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is Cc1ccc(F)cc1NCC(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is VLVRGAZRXQQPRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12-7-8-15(19)10-16(12)20-11-18(22)21-13(2)9-14-5-3-4-6-17(14)21/h3-8,10,13,20H,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 298.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 9099723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).