3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one

C18H18FNO2 — CID 82172845

IUPAC3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(C)cc(C(O)c3ccccc3F)cc21
InChIInChI=1S/C18H18FNO2/c1-3-12-14-9-11(8-10(2)16(14)20-18(12)22)17(21)13-6-4-5-7-15(13)19/h4-9,12,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyWYMKCYDXWFLBAB-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.66
Rot. Bonds3

About 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one

3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 82172845) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID82172845
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(C)cc(C(O)c3ccccc3F)cc21
InChIInChI=1S/C18H18FNO2/c1-3-12-14-9-11(8-10(2)16(14)20-18(12)22)17(21)13-6-4-5-7-15(13)19/h4-9,12,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyWYMKCYDXWFLBAB-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173602
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173601
5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173622
3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173135
3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173141
7-chloro-3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173752
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504
5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172787
(2-cyclobutylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114601272
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one (CID 82172845) is 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(C)cc(C(O)c3ccccc3F)cc21.
What is the InChIKey of 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is WYMKCYDXWFLBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-3-12-14-9-11(8-10(2)16(14)20-18(12)22)17(21)13-6-4-5-7-15(13)19/h4-9,12,17,21H,3H2,1-2H3,(H,20,22).
What are the key properties of 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one?
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 299.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).