(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one

C23H18BrNO — CID 50901334

IUPAC(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C23H18BrNO/c24-18-11-12-22-20(13-18)21(15-25-22)19(16-7-3-1-4-8-16)14-23(26)17-9-5-2-6-10-17/h1-13,15,19,25H,14H2/t19-/m1/s1
InChIKeyWQJHYKDSYYYAGX-LJQANCHMSA-N
MW404.31 g/mol
LogP6.34
Rot. Bonds5

About (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one

(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one (PubChem CID 50901334) has the molecular formula C23H18BrNO and a molecular weight of 404.31 g/mol. Its IUPAC name is (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
PubChem CID50901334
Molecular FormulaC23H18BrNO
Molecular Weight404.31 g/mol
Exact Mass403.06
IUPAC Name(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C23H18BrNO/c24-18-11-12-22-20(13-18)21(15-25-22)19(16-7-3-1-4-8-16)14-23(26)17-9-5-2-6-10-17/h1-13,15,19,25H,14H2/t19-/m1/s1
InChIKeyWQJHYKDSYYYAGX-LJQANCHMSA-N
XLogP6.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,3-benzodioxol-5-yl)-3-(5-bromo-1H-indol-3-yl)-1-phenylpropan-1-one
CID 101415572
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
5-bromo-3-(1,3-diphenylpropyl)-1H-indole
CID 102325643
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 139224809
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
ethyl (4S)-4-(5-bromo-1H-indol-3-yl)-4-(2-fluorophenyl)-2-oxobutanoate
CID 53306848

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
The IUPAC name of (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one (CID 50901334) is (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
The canonical SMILES for (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one is O=C(C[C@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12)c1ccccc1.
What is the InChIKey of (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
The InChIKey is WQJHYKDSYYYAGX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18BrNO/c24-18-11-12-22-20(13-18)21(15-25-22)19(16-7-3-1-4-8-16)14-23(26)17-9-5-2-6-10-17/h1-13,15,19,25H,14H2/t19-/m1/s1.
What are the key properties of (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one?
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one has a molecular weight of 404.31 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 50901334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).