1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone

C22H21FN2O2 — CID 119042698

IUPAC1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(NCc3ccc(-c4ccc(F)cc4C)o3)c21
InChIInChI=1S/C22H21FN2O2/c1-14-12-17(23)6-8-19(14)21-9-7-18(27-21)13-24-20-5-3-4-16-10-11-25(15(2)26)22(16)20/h3-9,12,24H,10-11,13H2,1-2H3
InChIKeyAQNMMIXJXDBILB-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.92
Rot. Bonds4

About 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone

1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 119042698) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID119042698
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(NCc3ccc(-c4ccc(F)cc4C)o3)c21
InChIInChI=1S/C22H21FN2O2/c1-14-12-17(23)6-8-19(14)21-9-7-18(27-21)13-24-20-5-3-4-16-10-11-25(15(2)26)22(16)20/h3-9,12,24H,10-11,13H2,1-2H3
InChIKeyAQNMMIXJXDBILB-UHFFFAOYSA-N
XLogP4.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-7-yl)-3-(2,4-difluorophenyl)urea
CID 3415037
[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
CID 99620226
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
CID 119033407
5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
CID 169332959
[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol
CID 111382379
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
CID 119134619
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122040964
(2R)-2-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 99796579
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
CID 112537116

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone (CID 119042698) is 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cccc(NCc3ccc(-c4ccc(F)cc4C)o3)c21.
What is the InChIKey of 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is AQNMMIXJXDBILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-12-17(23)6-8-19(14)21-9-7-18(27-21)13-24-20-5-3-4-16-10-11-25(15(2)26)22(16)20/h3-9,12,24H,10-11,13H2,1-2H3.
What are the key properties of 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 364.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 119042698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).