(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone

C16H11BrFNO — CID 62514797

IUPAC(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C16H11BrFNO/c1-9-2-4-14(18)12(6-9)16(20)13-8-19-15-5-3-10(17)7-11(13)15/h2-8,19H,1H3
InChIKeyGPASYPVDBLWAKG-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.61
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone

(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 62514797) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID62514797
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C16H11BrFNO/c1-9-2-4-14(18)12(6-9)16(20)13-8-19-15-5-3-10(17)7-11(13)15/h2-8,19H,1H3
InChIKeyGPASYPVDBLWAKG-UHFFFAOYSA-N
XLogP4.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(5-bromo-1H-indol-3-yl)-(4-methylthiophen-3-yl)methanone
CID 79802966
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(2-bromo-6-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 114558734
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone (CID 62514797) is (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2c[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is GPASYPVDBLWAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c1-9-2-4-14(18)12(6-9)16(20)13-8-19-15-5-3-10(17)7-11(13)15/h2-8,19H,1H3.
What are the key properties of (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 332.17 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 62514797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).