(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone

C16H11BrFNO2 — CID 115351557

IUPAC(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cccc(Br)c23)ccc1F
InChIInChI=1S/C16H11BrFNO2/c1-21-14-7-9(5-6-12(14)18)16(20)10-8-19-13-4-2-3-11(17)15(10)13/h2-8,19H,1H3
InChIKeyNWHXETBGWGQJFY-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.31
Rot. Bonds3

About (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone

(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 115351557) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID115351557
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cccc(Br)c23)ccc1F
InChIInChI=1S/C16H11BrFNO2/c1-21-14-7-9(5-6-12(14)18)16(20)10-8-19-13-4-2-3-11(17)15(10)13/h2-8,19H,1H3
InChIKeyNWHXETBGWGQJFY-UHFFFAOYSA-N
XLogP4.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 115351607
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone (CID 115351557) is (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone is COc1cc(C(=O)c2c[nH]c3cccc(Br)c23)ccc1F.
What is the InChIKey of (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is NWHXETBGWGQJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-21-14-7-9(5-6-12(14)18)16(20)10-8-19-13-4-2-3-11(17)15(10)13/h2-8,19H,1H3.
What are the key properties of (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone?
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 348.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 115351557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).