5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

C16H13ClFNO2 — CID 61087221

IUPAC5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C16H13ClFNO2/c1-19-13-6-5-9(7-10(13)8-14(19)20)16(21)15-11(17)3-2-4-12(15)18/h2-7,16,21H,8H2,1H3
InChIKeyUEIMADQCLCGUNU-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.08
Rot. Bonds2

About 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (PubChem CID 61087221) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
PubChem CID61087221
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C16H13ClFNO2/c1-19-13-6-5-9(7-10(13)8-14(19)20)16(21)15-11(17)3-2-4-12(15)18/h2-7,16,21H,8H2,1H3
InChIKeyUEIMADQCLCGUNU-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (CID 61087221) is 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)c3c(F)cccc3Cl)ccc21.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The InChIKey is UEIMADQCLCGUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c1-19-13-6-5-9(7-10(13)8-14(19)20)16(21)15-11(17)3-2-4-12(15)18/h2-7,16,21H,8H2,1H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one has a molecular weight of 305.74 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61087221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).