4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole

C17H13BrClNO — CID 116626107

IUPAC4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole
SMILESClc1cc2c(c(Cn3ccc4c(Br)cccc43)c1)OCC2
InChIInChI=1S/C17H13BrClNO/c18-15-2-1-3-16-14(15)4-6-20(16)10-12-9-13(19)8-11-5-7-21-17(11)12/h1-4,6,8-9H,5,7,10H2
InChIKeyVODWYOWBOICJOJ-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.04
Rot. Bonds2

About 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole

4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole (PubChem CID 116626107) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole.

Molecular Properties

Compound Name4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole
PubChem CID116626107
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole
SMILESClc1cc2c(c(Cn3ccc4c(Br)cccc43)c1)OCC2
InChIInChI=1S/C17H13BrClNO/c18-15-2-1-3-16-14(15)4-6-20(16)10-12-9-13(19)8-11-5-7-21-17(11)12/h1-4,6,8-9H,5,7,10H2
InChIKeyVODWYOWBOICJOJ-UHFFFAOYSA-N
XLogP5.04
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(3-chlorophenyl)methyl]indole
CID 116626137
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 114885386
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114886812
(3R,4S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidine-3,4-diol
CID 113383744
4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole
CID 116626089
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole
CID 116619794
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-ol
CID 113403630
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
4-bromo-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,5-difluoroaniline
CID 107611178

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole?
The IUPAC name of 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole (CID 116626107) is 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole.
What is the SMILES notation for 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole?
The canonical SMILES for 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole is Clc1cc2c(c(Cn3ccc4c(Br)cccc43)c1)OCC2.
What is the InChIKey of 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole?
The InChIKey is VODWYOWBOICJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c18-15-2-1-3-16-14(15)4-6-20(16)10-12-9-13(19)8-11-5-7-21-17(11)12/h1-4,6,8-9H,5,7,10H2.
What are the key properties of 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole?
4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole has a molecular weight of 362.65 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole is sourced from PubChem (CID 116626107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).