5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one

C15H11BrClNO2 — CID 61082666

IUPAC5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccccc3Br)c(Cl)cc2N1
InChIInChI=1S/C15H11BrClNO2/c16-11-4-2-1-3-9(11)15(20)10-5-8-6-14(19)18-13(8)7-12(10)17/h1-5,7,15,20H,6H2,(H,18,19)
InChIKeyRAMNLVHXILGQFX-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.68
Rot. Bonds2

About 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one

5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 61082666) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID61082666
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC Name5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccccc3Br)c(Cl)cc2N1
InChIInChI=1S/C15H11BrClNO2/c16-11-4-2-1-3-9(11)15(20)10-5-8-6-14(19)18-13(8)7-12(10)17/h1-5,7,15,20H,6H2,(H,18,19)
InChIKeyRAMNLVHXILGQFX-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901
5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 107955565
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
5-[bromo-(2,3-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63443106
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 63434625
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
5-[(3-bromothiophen-2-yl)-chloromethyl]-6-chloro-1,3-dihydroindol-2-one
CID 63797669
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one (CID 61082666) is 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3ccccc3Br)c(Cl)cc2N1.
What is the InChIKey of 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is RAMNLVHXILGQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c16-11-4-2-1-3-9(11)15(20)10-5-8-6-14(19)18-13(8)7-12(10)17/h1-5,7,15,20H,6H2,(H,18,19).
What are the key properties of 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 352.62 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61082666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).