4-bromo-1-[(3-chlorophenyl)methyl]indole

C15H11BrClN — CID 116626137

IUPAC4-bromo-1-[(3-chlorophenyl)methyl]indole
SMILESClc1cccc(Cn2ccc3c(Br)cccc32)c1
InChIInChI=1S/C15H11BrClN/c16-14-5-2-6-15-13(14)7-8-18(15)10-11-3-1-4-12(17)9-11/h1-9H,10H2
InChIKeyMSAVEDFEDWVQOT-UHFFFAOYSA-N
MW320.62 g/mol
LogP5.11
Rot. Bonds2

About 4-bromo-1-[(3-chlorophenyl)methyl]indole

4-bromo-1-[(3-chlorophenyl)methyl]indole (PubChem CID 116626137) has the molecular formula C15H11BrClN and a molecular weight of 320.62 g/mol. Its IUPAC name is 4-bromo-1-[(3-chlorophenyl)methyl]indole.

Molecular Properties

Compound Name4-bromo-1-[(3-chlorophenyl)methyl]indole
PubChem CID116626137
Molecular FormulaC15H11BrClN
Molecular Weight320.62 g/mol
Exact Mass318.98
IUPAC Name4-bromo-1-[(3-chlorophenyl)methyl]indole
SMILESClc1cccc(Cn2ccc3c(Br)cccc32)c1
InChIInChI=1S/C15H11BrClN/c16-14-5-2-6-15-13(14)7-8-18(15)10-11-3-1-4-12(17)9-11/h1-9H,10H2
InChIKeyMSAVEDFEDWVQOT-UHFFFAOYSA-N
XLogP5.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.62
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
1-[(3-chlorophenyl)methyl]-4-nitroindole
CID 115635423
4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
CID 116625940
4,6-dichloro-1-[(3-chlorophenyl)methyl]indol-5-ol
CID 139959943
4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole
CID 116626089
6-[(4-bromoindol-1-yl)methyl]quinoline
CID 116626190
4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole
CID 116626107
4-bromo-1-(3-phenylpropyl)indole
CID 116625927
1-benzyl-4-bromo-6-fluoroindole
CID 174577859
2-(4-bromoindol-1-yl)ethanol
CID 66827454
4-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116626077

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3-chlorophenyl)methyl]indole?
The IUPAC name of 4-bromo-1-[(3-chlorophenyl)methyl]indole (CID 116626137) is 4-bromo-1-[(3-chlorophenyl)methyl]indole.
What is the SMILES notation for 4-bromo-1-[(3-chlorophenyl)methyl]indole?
The canonical SMILES for 4-bromo-1-[(3-chlorophenyl)methyl]indole is Clc1cccc(Cn2ccc3c(Br)cccc32)c1.
What is the InChIKey of 4-bromo-1-[(3-chlorophenyl)methyl]indole?
The InChIKey is MSAVEDFEDWVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN/c16-14-5-2-6-15-13(14)7-8-18(15)10-11-3-1-4-12(17)9-11/h1-9H,10H2.
What are the key properties of 4-bromo-1-[(3-chlorophenyl)methyl]indole?
4-bromo-1-[(3-chlorophenyl)methyl]indole has a molecular weight of 320.62 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3-chlorophenyl)methyl]indole is sourced from PubChem (CID 116626137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).