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

C15H10BrCl2NO2 — CID 107955565

IUPAC5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cc(Cl)cc(Br)c3)c(Cl)cc2N1
InChIInChI=1S/C15H10BrCl2NO2/c16-9-1-8(2-10(17)5-9)15(21)11-3-7-4-14(20)19-13(7)6-12(11)18/h1-3,5-6,15,21H,4H2,(H,19,20)
InChIKeyVNRPKLFBEIVZQW-UHFFFAOYSA-N
MW387.06 g/mol
LogP4.33
Rot. Bonds2

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

5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 107955565) has the molecular formula C15H10BrCl2NO2 and a molecular weight of 387.06 g/mol. Its IUPAC name is 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID107955565
Molecular FormulaC15H10BrCl2NO2
Molecular Weight387.06 g/mol
Exact Mass384.93
IUPAC Name5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3cc(Cl)cc(Br)c3)c(Cl)cc2N1
InChIInChI=1S/C15H10BrCl2NO2/c16-9-1-8(2-10(17)5-9)15(21)11-3-7-4-14(20)19-13(7)6-12(11)18/h1-3,5-6,15,21H,4H2,(H,19,20)
InChIKeyVNRPKLFBEIVZQW-UHFFFAOYSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.06
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
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
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one (CID 107955565) is 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3cc(Cl)cc(Br)c3)c(Cl)cc2N1.
What is the InChIKey of 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is VNRPKLFBEIVZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NO2/c16-9-1-8(2-10(17)5-9)15(21)11-3-7-4-14(20)19-13(7)6-12(11)18/h1-3,5-6,15,21H,4H2,(H,19,20).
What are the key properties of 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one?
5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 387.06 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 107955565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).