(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone

C17H13BrFNO — CID 43339323

IUPAC(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cc(F)ccc3Br)c[nH]c12
InChIInChI=1S/C17H13BrFNO/c1-2-10-4-3-5-12-14(9-20-16(10)12)17(21)13-8-11(19)6-7-15(13)18/h3-9,20H,2H2,1H3
InChIKeyFGPFIQOHGUDQQE-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.86
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone

(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone (PubChem CID 43339323) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
PubChem CID43339323
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cc(F)ccc3Br)c[nH]c12
InChIInChI=1S/C17H13BrFNO/c1-2-10-4-3-5-12-14(9-20-16(10)12)17(21)13-8-11(19)6-7-15(13)18/h3-9,20H,2H2,1H3
InChIKeyFGPFIQOHGUDQQE-UHFFFAOYSA-N
XLogP4.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7-ethyl-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 43161290
(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107979602
(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107987127
(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
CID 80537318
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 43339295
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63491466
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 103474322
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone (CID 43339323) is (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone is CCc1cccc2c(C(=O)c3cc(F)ccc3Br)c[nH]c12.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The InChIKey is FGPFIQOHGUDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c1-2-10-4-3-5-12-14(9-20-16(10)12)17(21)13-8-11(19)6-7-15(13)18/h3-9,20H,2H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone has a molecular weight of 346.20 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 43339323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).