(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one

C18H16BrNO3 — CID 1287153

IUPAC(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO3/c1-2-11-4-3-5-14-16(11)20-17(22)18(14,23)10-15(21)12-6-8-13(19)9-7-12/h3-9,23H,2,10H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyYGJZYNLVZAYXTR-GOSISDBHSA-N
MW374.23 g/mol
LogP3.42
Rot. Bonds4

About (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one (PubChem CID 1287153) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one
PubChem CID1287153
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO3/c1-2-11-4-3-5-14-16(11)20-17(22)18(14,23)10-15(21)12-6-8-13(19)9-7-12/h3-9,23H,2,10H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyYGJZYNLVZAYXTR-GOSISDBHSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
CID 84628063
5-[2-(4-bromophenyl)-2-oxoethyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
CID 100818199
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 1320855
(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330472
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330473
(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 6977392
5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
CID 3782803
3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360612
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216208

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one (CID 1287153) is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one is CCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one?
The InChIKey is YGJZYNLVZAYXTR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-2-11-4-3-5-14-16(11)20-17(22)18(14,23)10-15(21)12-6-8-13(19)9-7-12/h3-9,23H,2,10H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one has a molecular weight of 374.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 1287153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).