3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C18H18F2N2O — CID 109042608

IUPAC3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O/c1-12-10-13-4-2-3-5-17(13)22(12)18(23)8-9-21-14-6-7-15(19)16(20)11-14/h2-7,11-12,21H,8-10H2,1H3
InChIKeyJOMFPQRJAFDDPO-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.74
Rot. Bonds4

About 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 109042608) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID109042608
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O/c1-12-10-13-4-2-3-5-17(13)22(12)18(23)8-9-21-14-6-7-15(19)16(20)11-14/h2-7,11-12,21H,8-10H2,1H3
InChIKeyJOMFPQRJAFDDPO-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(trifluoromethyl)anilino]propan-1-one
CID 109040861
methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041537
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(2-propan-2-ylanilino)propan-1-one
CID 109036822
methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041361
1-(2-methyl-2,3-dihydroindol-1-yl)-4-(4-nitroanilino)butan-1-one
CID 24669459
[2-(3,4-difluoroanilino)-4-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109178919
3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109038364
3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109033489

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 109042608) is 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is CC1Cc2ccccc2N1C(=O)CCNc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is JOMFPQRJAFDDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-12-10-13-4-2-3-5-17(13)22(12)18(23)8-9-21-14-6-7-15(19)16(20)11-14/h2-7,11-12,21H,8-10H2,1H3.
What are the key properties of 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 316.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 109042608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).