5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

C16H13Cl2NO2 — CID 61087964

IUPAC5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C16H13Cl2NO2/c1-19-14-3-2-9(4-10(14)7-15(19)20)16(21)11-5-12(17)8-13(18)6-11/h2-6,8,16,21H,7H2,1H3
InChIKeyRIZJGGGZJXWKIX-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.59
Rot. Bonds2

About 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (PubChem CID 61087964) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
PubChem CID61087964
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C16H13Cl2NO2/c1-19-14-3-2-9(4-10(14)7-15(19)20)16(21)11-5-12(17)8-13(18)6-11/h2-6,8,16,21H,7H2,1H3
InChIKeyRIZJGGGZJXWKIX-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-chloro-4-iodophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 103210148
5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61083787
5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 55050580
5-[(4-ethylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61086671
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324
5-[bromo-(3-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098342
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61084786
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (CID 61087964) is 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)c3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The InChIKey is RIZJGGGZJXWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-19-14-3-2-9(4-10(14)7-15(19)20)16(21)11-5-12(17)8-13(18)6-11/h2-6,8,16,21H,7H2,1H3.
What are the key properties of 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one has a molecular weight of 322.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61087964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).