(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone

C17H15F2NO — CID 143074172

IUPAC(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C17H15F2NO/c1-2-11-10-20(16-6-4-3-5-13(11)16)17(21)14-8-7-12(18)9-15(14)19/h3-9,11H,2,10H2,1H3
InChIKeyKSXCATLCEGGMNW-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.12
Rot. Bonds2

About (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone

(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 143074172) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone
PubChem CID143074172
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C17H15F2NO/c1-2-11-10-20(16-6-4-3-5-13(11)16)17(21)14-8-7-12(18)9-15(14)19/h3-9,11H,2,10H2,1H3
InChIKeyKSXCATLCEGGMNW-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-2,3-dihydroindole-1-carbonyl chloride
CID 45081952
[4-(2,4-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,4-difluorophenyl)methanone
CID 166219525
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one
CID 142120927
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2-hydroxy-5-methylsulfanylphenyl)methanone
CID 167755510
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63235783
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808318
[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 166272815
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 63235471
(4R)-5-(2,4-difluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6931585
methyl 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroindole-3-carboxylate
CID 75377070

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone (CID 143074172) is (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone is CCC1CN(C(=O)c2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is KSXCATLCEGGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-11-10-20(16-6-4-3-5-13(11)16)17(21)14-8-7-12(18)9-15(14)19/h3-9,11H,2,10H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone?
(2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 287.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3-ethyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 143074172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).