3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one

C24H29FN2O2 — CID 11502140

IUPAC3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one
SMILESCCN(CC)CCCc1ccc2c(c1)C(C)OC2C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C24H29FN2O2/c1-4-27(5-2)12-6-7-16-8-10-18-19(13-16)15(3)29-23(18)22-20-14-17(25)9-11-21(20)26-24(22)28/h8-11,13-15,22-23H,4-7,12H2,1-3H3,(H,26,28)
InChIKeyFXMCUSUJYYUPDB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.97
Rot. Bonds7

About 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one

3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 11502140) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one
PubChem CID11502140
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one
SMILESCCN(CC)CCCc1ccc2c(c1)C(C)OC2C1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C24H29FN2O2/c1-4-27(5-2)12-6-7-16-8-10-18-19(13-16)15(3)29-23(18)22-20-14-17(25)9-11-21(20)26-24(22)28/h8-11,13-15,22-23H,4-7,12H2,1-3H3,(H,26,28)
InChIKeyFXMCUSUJYYUPDB-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one with MolForge

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Related Compounds

(3S)-3-[methoxy(phenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 134842097
(3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one
CID 10308163
3-[1-(5-Fluoro-2-oxo-1,3-dihydroindol-3-yl)-1,3-dihydro-2-benzofuran-5-yl]propanoic acid
CID 11609820
3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one
CID 11611257
5-fluoro-3-[5-[2-(4-hydroxycyclohexyl)ethyl]-3,3-dimethyl-1H-2-benzofuran-1-yl]-1,3-dihydroindol-2-one
CID 11633216
3-[(1E)-1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl 2,6-diaminohexanoate
CID 16222637
3-[(1E)-1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propyl 2-aminoacetate
CID 16222744
2-piperidin-1-ylethyl 2-[(3Z)-3-(6-fluoro-2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-1-yl]acetate
CID 21030094
methyl 2-[(3Z)-3-(6-fluoro-2-oxo-1H-indol-3-ylidene)-1H-2-benzofuran-1-yl]acetate
CID 21030128
5-(ethoxymethyl)-6-ethyl-7-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,7-dihydro-1H-pyrrolo[3,2-f]quinolin-2-one
CID 22218161
(3E)-3-[5-[3-(diethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-ylidene]-5-fluoro-1H-indol-2-one
CID 46865319
3-[2-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one
CID 57318569

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one (CID 11502140) is 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one is CCN(CC)CCCc1ccc2c(c1)C(C)OC2C1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is FXMCUSUJYYUPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-4-27(5-2)12-6-7-16-8-10-18-19(13-16)15(3)29-23(18)22-20-14-17(25)9-11-21(20)26-24(22)28/h8-11,13-15,22-23H,4-7,12H2,1-3H3,(H,26,28).
What are the key properties of 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one?
3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 396.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(diethylamino)propyl]-3-methyl-1,3-dihydro-2-benzofuran-1-yl]-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 11502140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).