1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one

C17H13BrFNO — CID 62045340

IUPAC1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H13BrFNO/c18-14-6-5-12-7-8-20(17(12)10-14)11-15(21)9-13-3-1-2-4-16(13)19/h1-8,10H,9,11H2
InChIKeyUYDRWNOKRGBYMO-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.35
Rot. Bonds4

About 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one

1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one (PubChem CID 62045340) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
PubChem CID62045340
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C17H13BrFNO/c18-14-6-5-12-7-8-20(17(12)10-14)11-15(21)9-13-3-1-2-4-16(13)19/h1-8,10H,9,11H2
InChIKeyUYDRWNOKRGBYMO-UHFFFAOYSA-N
XLogP4.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62039344
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1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
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1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
CID 62023949
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CID 116621806
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
CID 116691910
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
1-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroindole
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2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 90489428
2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
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CID 116621944

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one (CID 62045340) is 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)Cn1ccc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
The InChIKey is UYDRWNOKRGBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-14-6-5-12-7-8-20(17(12)10-14)11-15(21)9-13-3-1-2-4-16(13)19/h1-8,10H,9,11H2.
What are the key properties of 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one?
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one has a molecular weight of 346.20 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 62045340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).