1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one

C17H15BrFNO — CID 103502441

IUPAC1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCN1CCc2ccc(F)cc21)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrFNO/c18-14-4-1-13(2-5-14)17(21)8-10-20-9-7-12-3-6-15(19)11-16(12)20/h1-6,11H,7-10H2
InChIKeyBPQVZGHGRAPJBF-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.22
Rot. Bonds4

About 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one

1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 103502441) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID103502441
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCN1CCc2ccc(F)cc21)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrFNO/c18-14-4-1-13(2-5-14)17(21)8-10-20-9-7-12-3-6-15(19)11-16(12)20/h1-6,11H,7-10H2
InChIKeyBPQVZGHGRAPJBF-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one (CID 103502441) is 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one is O=C(CCN1CCc2ccc(F)cc21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is BPQVZGHGRAPJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-14-4-1-13(2-5-14)17(21)8-10-20-9-7-12-3-6-15(19)11-16(12)20/h1-6,11H,7-10H2.
What are the key properties of 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 348.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 103502441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).