Basic information
- CAS
205369-12-6- Standard SMILES
CC(=O)n1cc(C[C@H]2CCCN2C)c2cc(Br)ccc21- InChIKey
PIIFSFIOOCHDIK-CQSZACIVSA-N- Molecular formula
- C16H19BrN2O
- Average molar mass
- 335.24 g/mol
- Monoisotopic mass
- 334.06807533
Names & identifiers
- Preferred name
- (R)-1-(5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indol-1-yl)ethanone
- IUPAC
- 1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone
- English name
- (R)-N-Acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
- Molecular formula
- C16H19BrN2O
- Molecular weight
- 335.24
Names & synonyms
205369-12-6(R)-1-(5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indol-1-yl)ethanone1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone1-acetyl-5-bromo-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indoleEthanone, 1-[5-bromo-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indol-1-yl]-(R)-1-acetyl-5-bromo-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole1-Acetyl-5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indoleSCHEMBL2180885DTXSID50472293PIIFSFIOOCHDIK-CQSZACIVSA-NCS-M2253MFCD13180643
Show more names
(R)-N-ACETYL-5-BROMO-3-(N-METHYLPYRROLIDIN-2-YLMETHYL)-1H-INDOLEAKOS016005371CS-14074F7895981-(5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indol-1-yl)ethanone(R)-1-(5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indol-1-yl)ethan-1-one1-(5-Bromo-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indol-1-yl)ethan-1-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 424.4 · 424.4±25.0 °C(Predicted)
- Density
- 1.43 · 1.43
- storage temp.
- 2 · 2-8°C
- pka
- 10.16 · 10.16±0.40(Predicted)
- InChI
- InChI=1S/C16H19BrN2O/c1-11(20)19-10-12(8-14-4-3-7-18(14)2)15-9-13(17)5-6-16(15)19/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t14-/m1/s1
- InChIKey
- PIIFSFIOOCHDIK-CQSZACIVSA-N
- SMILES
- C(=O)(N1C2=C(C=C(Br)C=C2)C(C[C@H]2CCCN2C)=C1)C
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海迪外化工科技有限公司021-61551100
上海遐瑞医药科技有限公司+86 21 61551611
台州南峰药物研究所[email protected] 18616377689 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
江苏艾康生物医药研发有限公司
Related reactions
1 records
Compound notes
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