4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole

C15H10Br2FN — CID 116625940

IUPAC4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
SMILESFc1cc(Br)cc(Cn2ccc3c(Br)cccc32)c1
InChIInChI=1S/C15H10Br2FN/c16-11-6-10(7-12(18)8-11)9-19-5-4-13-14(17)2-1-3-15(13)19/h1-8H,9H2
InChIKeyXFYAQUXRWARRRO-UHFFFAOYSA-N
MW383.06 g/mol
LogP5.35
Rot. Bonds2

About 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole

4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole (PubChem CID 116625940) has the molecular formula C15H10Br2FN and a molecular weight of 383.06 g/mol. Its IUPAC name is 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
PubChem CID116625940
Molecular FormulaC15H10Br2FN
Molecular Weight383.06 g/mol
Exact Mass380.92
IUPAC Name4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
SMILESFc1cc(Br)cc(Cn2ccc3c(Br)cccc32)c1
InChIInChI=1S/C15H10Br2FN/c16-11-6-10(7-12(18)8-11)9-19-5-4-13-14(17)2-1-3-15(13)19/h1-8H,9H2
InChIKeyXFYAQUXRWARRRO-UHFFFAOYSA-N
XLogP5.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.06
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
4-bromo-1-[(3-chlorophenyl)methyl]indole
CID 116626137
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
1-benzyl-4-bromo-6-fluoroindole
CID 174577859
1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
CID 79709523
6-[(4-bromoindol-1-yl)methyl]quinoline
CID 116626190
1-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 79702419
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
1-[(3-bromo-5-fluorophenyl)methyl]pyrrole-2-carbonitrile
CID 114653143
3-amino-1-[(3-bromo-5-fluorophenyl)methyl]pyridin-2-one
CID 79710063
N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79702420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole?
The IUPAC name of 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole (CID 116625940) is 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole.
What is the SMILES notation for 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole?
The canonical SMILES for 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole is Fc1cc(Br)cc(Cn2ccc3c(Br)cccc32)c1.
What is the InChIKey of 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole?
The InChIKey is XFYAQUXRWARRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2FN/c16-11-6-10(7-12(18)8-11)9-19-5-4-13-14(17)2-1-3-15(13)19/h1-8H,9H2.
What are the key properties of 4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole?
4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole has a molecular weight of 383.06 g/mol, XLogP of 5.35, 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-bromo-5-fluorophenyl)methyl]indole is sourced from PubChem (CID 116625940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).