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

C15H11BrFN — CID 4284704

IUPAC5-bromo-1-[(3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H11BrFN/c16-13-4-5-15-12(9-13)6-7-18(15)10-11-2-1-3-14(17)8-11/h1-9H,10H2
InChIKeyUCEAQCRZRDPZQC-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.59
Rot. Bonds2

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

5-bromo-1-[(3-fluorophenyl)methyl]indole (PubChem CID 4284704) has the molecular formula C15H11BrFN and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-1-[(3-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(3-fluorophenyl)methyl]indole
PubChem CID4284704
Molecular FormulaC15H11BrFN
Molecular Weight304.16 g/mol
Exact Mass303.01
IUPAC Name5-bromo-1-[(3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H11BrFN/c16-13-4-5-15-12(9-13)6-7-18(15)10-11-2-1-3-14(17)8-11/h1-9H,10H2
InChIKeyUCEAQCRZRDPZQC-UHFFFAOYSA-N
XLogP4.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 116619723
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
1-[(3-bromophenyl)methyl]indole
CID 22256844
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-fluorophenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(3-fluorophenyl)methyl]indole (CID 4284704) is 5-bromo-1-[(3-fluorophenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(3-fluorophenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(3-fluorophenyl)methyl]indole is Fc1cccc(Cn2ccc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-[(3-fluorophenyl)methyl]indole?
The InChIKey is UCEAQCRZRDPZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN/c16-13-4-5-15-12(9-13)6-7-18(15)10-11-2-1-3-14(17)8-11/h1-9H,10H2.
What are the key properties of 5-bromo-1-[(3-fluorophenyl)methyl]indole?
5-bromo-1-[(3-fluorophenyl)methyl]indole has a molecular weight of 304.16 g/mol, XLogP of 4.59, 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-fluorophenyl)methyl]indole is sourced from PubChem (CID 4284704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).