5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one

C18H19FN2O — CID 82173602

IUPAC5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(N)c3ccccc3C)cc21
InChIInChI=1S/C18H19FN2O/c1-3-12-14-8-11(9-15(19)17(14)21-18(12)22)16(20)13-7-5-4-6-10(13)2/h4-9,12,16H,3,20H2,1-2H3,(H,21,22)
InChIKeyUUTGPSFZQWUUOV-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.63
Rot. Bonds3

About 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one

5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173602) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
PubChem CID82173602
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(N)c3ccccc3C)cc21
InChIInChI=1S/C18H19FN2O/c1-3-12-14-8-11(9-15(19)17(14)21-18(12)22)16(20)13-7-5-4-6-10(13)2/h4-9,12,16H,3,20H2,1-2H3,(H,21,22)
InChIKeyUUTGPSFZQWUUOV-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173601
7-[amino-(2-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172664
7-[amino(phenyl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173281
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845
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
5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173622
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172665
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173119

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (CID 82173602) is 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(F)cc(C(N)c3ccccc3C)cc21.
What is the InChIKey of 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is UUTGPSFZQWUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-3-12-14-8-11(9-15(19)17(14)21-18(12)22)16(20)13-7-5-4-6-10(13)2/h4-9,12,16H,3,20H2,1-2H3,(H,21,22).
What are the key properties of 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 298.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).