(3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one

C19H21BrN2O3 — CID 98857336

IUPAC(3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2[C@@H]1CN(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C19H21BrN2O3/c20-13-5-6-16-17(19(23)21-18(16)9-13)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1,3,5-7,9,15,17H,2,4,8,10-12H2,(H,21,23)/t15-,17-/m0/s1
InChIKeyZZWMEUORAUBYTE-RDJZCZTQSA-N
MW405.29 g/mol
LogP3.76
Rot. Bonds6

About (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one

(3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one (PubChem CID 98857336) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one
PubChem CID98857336
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name(3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2[C@@H]1CN(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C19H21BrN2O3/c20-13-5-6-16-17(19(23)21-18(16)9-13)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1,3,5-7,9,15,17H,2,4,8,10-12H2,(H,21,23)/t15-,17-/m0/s1
InChIKeyZZWMEUORAUBYTE-RDJZCZTQSA-N
XLogP3.76
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 6618527
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5010207
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 60585191
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 47537442
4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 5224121

Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one (CID 98857336) is (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one is O=C1Nc2cc(Br)ccc2[C@@H]1CN(Cc1ccco1)C[C@@H]1CCCO1.
What is the InChIKey of (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is ZZWMEUORAUBYTE-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c20-13-5-6-16-17(19(23)21-18(16)9-13)12-22(10-14-3-1-7-24-14)11-15-4-2-8-25-15/h1,3,5-7,9,15,17H,2,4,8,10-12H2,(H,21,23)/t15-,17-/m0/s1.
What are the key properties of (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one?
(3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 405.29 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3-[[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 98857336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).