5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one

C26H23BrClNO3 — CID 17077809

IUPAC5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
SMILESCCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1
InChIInChI=1S/C26H23BrClNO3/c1-2-3-17-4-8-19(9-5-17)24(30)15-26(32)22-14-20(27)10-13-23(22)29(25(26)31)16-18-6-11-21(28)12-7-18/h4-14,32H,2-3,15-16H2,1H3
InChIKeyYIPLXCZEHYQJSX-UHFFFAOYSA-N
MW512.83 g/mol
LogP6.06
Rot. Bonds7

About 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one

5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one (PubChem CID 17077809) has the molecular formula C26H23BrClNO3 and a molecular weight of 512.83 g/mol. Its IUPAC name is 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one.

Molecular Properties

Compound Name5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
PubChem CID17077809
Molecular FormulaC26H23BrClNO3
Molecular Weight512.83 g/mol
Exact Mass511.05
IUPAC Name5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
SMILESCCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1
InChIInChI=1S/C26H23BrClNO3/c1-2-3-17-4-8-19(9-5-17)24(30)15-26(32)22-14-20(27)10-13-23(22)29(25(26)31)16-18-6-11-21(28)12-7-18/h4-14,32H,2-3,15-16H2,1H3
InChIKeyYIPLXCZEHYQJSX-UHFFFAOYSA-N
XLogP6.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.83
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[(4-bromophenyl)methyl]-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17077848
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 17077782
5-bromo-1-[(4-bromophenyl)methyl]-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17077849
(3R)-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 40875468
5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2925747
(3S)-5-bromo-3-hydroxy-1-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 95731348
5-bromo-3-hydroxy-1-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
CID 66523028
1-benzyl-5-bromo-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 3883654
(3S)-5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 41290451
(3R)-1-benzyl-5-bromo-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 27522874
(3R)-1-benzyl-5-bromo-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 98168699
(3S)-5-bromo-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 40774019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
The IUPAC name of 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one (CID 17077809) is 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one.
What is the SMILES notation for 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
The canonical SMILES for 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one is CCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1.
What is the InChIKey of 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
The InChIKey is YIPLXCZEHYQJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrClNO3/c1-2-3-17-4-8-19(9-5-17)24(30)15-26(32)22-14-20(27)10-13-23(22)29(25(26)31)16-18-6-11-21(28)12-7-18/h4-14,32H,2-3,15-16H2,1H3.
What are the key properties of 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one has a molecular weight of 512.83 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one is sourced from PubChem (CID 17077809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).