3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one

C16H11BrClNO3 — CID 46360603

IUPAC3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1Br
InChIInChI=1S/C16H11BrClNO3/c17-12-4-2-1-3-10(12)14(20)8-16(22)11-7-9(18)5-6-13(11)19-15(16)21/h1-7,22H,8H2,(H,19,21)
InChIKeyBECYMJBMUIJSFQ-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.52
Rot. Bonds3

About 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one

3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one (PubChem CID 46360603) has the molecular formula C16H11BrClNO3 and a molecular weight of 380.63 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
PubChem CID46360603
Molecular FormulaC16H11BrClNO3
Molecular Weight380.63 g/mol
Exact Mass378.96
IUPAC Name3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1Br
InChIInChI=1S/C16H11BrClNO3/c17-12-4-2-1-3-10(12)14(20)8-16(22)11-7-9(18)5-6-13(11)19-15(16)21/h1-7,22H,8H2,(H,19,21)
InChIKeyBECYMJBMUIJSFQ-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one (CID 46360603) is 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one?
The InChIKey is BECYMJBMUIJSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO3/c17-12-4-2-1-3-10(12)14(20)8-16(22)11-7-9(18)5-6-13(11)19-15(16)21/h1-7,22H,8H2,(H,19,21).
What are the key properties of 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one?
3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one has a molecular weight of 380.63 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 46360603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).