5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

C16H13ClFNO2 — CID 61088916

IUPAC5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C16H13ClFNO2/c1-19-14-5-2-9(6-10(14)7-15(19)20)16(21)12-4-3-11(18)8-13(12)17/h2-6,8,16,21H,7H2,1H3
InChIKeyRMSKNBGGWPBNOK-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.08
Rot. Bonds2

About 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one

5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (PubChem CID 61088916) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
PubChem CID61088916
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)c3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C16H13ClFNO2/c1-19-14-5-2-9(6-10(14)7-15(19)20)16(21)12-4-3-11(18)8-13(12)17/h2-6,8,16,21H,7H2,1H3
InChIKeyRMSKNBGGWPBNOK-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-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one (CID 61088916) is 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)c3ccc(F)cc3Cl)ccc21.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
The InChIKey is RMSKNBGGWPBNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c1-19-14-5-2-9(6-10(14)7-15(19)20)16(21)12-4-3-11(18)8-13(12)17/h2-6,8,16,21H,7H2,1H3.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one?
5-[(2-chloro-4-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-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61088916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).