(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one

C23H17BrFNO3 — CID 1425877

IUPAC(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C23H17BrFNO3/c24-17-5-3-4-16(12-17)21(27)13-23(29)19-6-1-2-7-20(19)26(22(23)28)14-15-8-10-18(25)11-9-15/h1-12,29H,13-14H2/t23-/m0/s1
InChIKeyGMIDIWTXDDYDAV-QHCPKHFHSA-N
MW454.30 g/mol
LogP4.60
Rot. Bonds5

About (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one

(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one (PubChem CID 1425877) has the molecular formula C23H17BrFNO3 and a molecular weight of 454.30 g/mol. Its IUPAC name is (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
PubChem CID1425877
Molecular FormulaC23H17BrFNO3
Molecular Weight454.30 g/mol
Exact Mass453.04
IUPAC Name(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
SMILESO=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C23H17BrFNO3/c24-17-5-3-4-16(12-17)21(27)13-23(29)19-6-1-2-7-20(19)26(22(23)28)14-15-8-10-18(25)11-9-15/h1-12,29H,13-14H2/t23-/m0/s1
InChIKeyGMIDIWTXDDYDAV-QHCPKHFHSA-N
XLogP4.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7680451
(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 40943701
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 17078067
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2924908
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1-(3-phenylpropyl)indol-2-one
CID 2938372
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 40823341
(3R)-1-[(4-bromophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425799
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 17077782
(3S)-1-benzyl-3-hydroxy-3-[2-oxo-2-(3-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 2210775

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
The IUPAC name of (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one (CID 1425877) is (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one.
What is the SMILES notation for (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
The canonical SMILES for (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one is O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1cccc(Br)c1.
What is the InChIKey of (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
The InChIKey is GMIDIWTXDDYDAV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H17BrFNO3/c24-17-5-3-4-16(12-17)21(27)13-23(29)19-6-1-2-7-20(19)26(22(23)28)14-15-8-10-18(25)11-9-15/h1-12,29H,13-14H2/t23-/m0/s1.
What are the key properties of (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one?
(3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one has a molecular weight of 454.30 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-bromophenyl)-2-oxoethyl]-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 1425877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).