6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one

C16H13Cl2NO2 — CID 61080710

IUPAC6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)Cc3ccc(Cl)cc3)c(Cl)cc2N1
InChIInChI=1S/C16H13Cl2NO2/c17-11-3-1-9(2-4-11)5-15(20)12-6-10-7-16(21)19-14(10)8-13(12)18/h1-4,6,8,15,20H,5,7H2,(H,19,21)
InChIKeyMFEQANGUOHPBBB-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.76
Rot. Bonds3

About 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one

6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one (PubChem CID 61080710) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
PubChem CID61080710
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)Cc3ccc(Cl)cc3)c(Cl)cc2N1
InChIInChI=1S/C16H13Cl2NO2/c17-11-3-1-9(2-4-11)5-15(20)12-6-10-7-16(21)19-14(10)8-13(12)18/h1-4,6,8,15,20H,5,7H2,(H,19,21)
InChIKeyMFEQANGUOHPBBB-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43691683
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 107955565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one (CID 61080710) is 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)Cc3ccc(Cl)cc3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one?
The InChIKey is MFEQANGUOHPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-11-3-1-9(2-4-11)5-15(20)12-6-10-7-16(21)19-14(10)8-13(12)18/h1-4,6,8,15,20H,5,7H2,(H,19,21).
What are the key properties of 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one has a molecular weight of 322.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61080710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).