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

C15H10BrClFN — CID 103041480

IUPAC5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
SMILESFc1ccc(Cn2ccc3cc(Br)ccc32)cc1Cl
InChIInChI=1S/C15H10BrClFN/c16-12-2-4-15-11(8-12)5-6-19(15)9-10-1-3-14(18)13(17)7-10/h1-8H,9H2
InChIKeyARHHUPUFPVJKQF-UHFFFAOYSA-N
MW338.61 g/mol
LogP5.24
Rot. Bonds2

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

5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole (PubChem CID 103041480) has the molecular formula C15H10BrClFN and a molecular weight of 338.61 g/mol. Its IUPAC name is 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
PubChem CID103041480
Molecular FormulaC15H10BrClFN
Molecular Weight338.61 g/mol
Exact Mass336.97
IUPAC Name5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
SMILESFc1ccc(Cn2ccc3cc(Br)ccc32)cc1Cl
InChIInChI=1S/C15H10BrClFN/c16-12-2-4-15-11(8-12)5-6-19(15)9-10-1-3-14(18)13(17)7-10/h1-8H,9H2
InChIKeyARHHUPUFPVJKQF-UHFFFAOYSA-N
XLogP5.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole (CID 103041480) is 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole is Fc1ccc(Cn2ccc3cc(Br)ccc32)cc1Cl.
What is the InChIKey of 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole?
The InChIKey is ARHHUPUFPVJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN/c16-12-2-4-15-11(8-12)5-6-19(15)9-10-1-3-14(18)13(17)7-10/h1-8H,9H2.
What are the key properties of 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole?
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole has a molecular weight of 338.61 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole is sourced from PubChem (CID 103041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).