3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one

C25H22BrNO3 — CID 2938372

IUPAC3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C25H22BrNO3/c26-20-12-6-11-19(16-20)23(28)17-25(30)21-13-4-5-14-22(21)27(24(25)29)15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16,30H,7,10,15,17H2
InChIKeyYTYHRQZREAKLBN-UHFFFAOYSA-N
MW464.36 g/mol
LogP4.89
Rot. Bonds7

About 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one

3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one (PubChem CID 2938372) has the molecular formula C25H22BrNO3 and a molecular weight of 464.36 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
PubChem CID2938372
Molecular FormulaC25H22BrNO3
Molecular Weight464.36 g/mol
Exact Mass463.08
IUPAC Name3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C25H22BrNO3/c26-20-12-6-11-19(16-20)23(28)17-25(30)21-13-4-5-14-22(21)27(24(25)29)15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16,30H,7,10,15,17H2
InChIKeyYTYHRQZREAKLBN-UHFFFAOYSA-N
XLogP4.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-phenacyl-1-(3-phenylpropyl)indol-2-one
CID 3692201
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 41339060
3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(3-phenylpropyl)indol-2-one
CID 3819208
(3R)-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 40875161
(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one
CID 41339128
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2924908
(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 1425877
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1320074
3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 163207336
(3R)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1316626
(3S)-5-bromo-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 124536071
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
CID 7281333

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
The IUPAC name of 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one (CID 2938372) is 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one.
What is the SMILES notation for 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
The canonical SMILES for 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one is O=C(CC1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1cccc(Br)c1.
What is the InChIKey of 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
The InChIKey is YTYHRQZREAKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrNO3/c26-20-12-6-11-19(16-20)23(28)17-25(30)21-13-4-5-14-22(21)27(24(25)29)15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16,30H,7,10,15,17H2.
What are the key properties of 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one?
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one has a molecular weight of 464.36 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one is sourced from PubChem (CID 2938372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).