(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

C16H11BrFNO2 — CID 107950032

IUPAC(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cccc(Br)c3F)c12
InChIInChI=1S/C16H11BrFNO2/c1-21-13-7-3-6-12-14(13)10(8-19-12)16(20)9-4-2-5-11(17)15(9)18/h2-8,19H,1H3
InChIKeyJHDKJRMQJTYOFQ-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.31
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 107950032) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID107950032
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cccc(Br)c3F)c12
InChIInChI=1S/C16H11BrFNO2/c1-21-13-7-3-6-12-14(13)10(8-19-12)16(20)9-4-2-5-11(17)15(9)18/h2-8,19H,1H3
InChIKeyJHDKJRMQJTYOFQ-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

(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 107950032) is (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3cccc(Br)c3F)c12.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is JHDKJRMQJTYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-21-13-7-3-6-12-14(13)10(8-19-12)16(20)9-4-2-5-11(17)15(9)18/h2-8,19H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)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 (3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 107950032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).