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

C17H17FN2O — CID 82173601

IUPAC5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(N)c3ccccc3)cc21
InChIInChI=1S/C17H17FN2O/c1-2-12-13-8-11(9-14(18)16(13)20-17(12)21)15(19)10-6-4-3-5-7-10/h3-9,12,15H,2,19H2,1H3,(H,20,21)
InChIKeyKHOVTMLMWGUMBJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.32
Rot. Bonds3

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

5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173601) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
PubChem CID82173601
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(N)c3ccccc3)cc21
InChIInChI=1S/C17H17FN2O/c1-2-12-13-8-11(9-14(18)16(13)20-17(12)21)15(19)10-6-4-3-5-7-10/h3-9,12,15H,2,19H2,1H3,(H,20,21)
InChIKeyKHOVTMLMWGUMBJ-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.32
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
7-[amino(phenyl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173281
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173622
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845
5-[amino(phenyl)methyl]-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172771
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275
7-[amino-(2-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172664
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172665
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666

Frequently Asked Questions

What is the IUPAC name of 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (CID 82173601) is 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(F)cc(C(N)c3ccccc3)cc21.
What is the InChIKey of 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is KHOVTMLMWGUMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-12-13-8-11(9-14(18)16(13)20-17(12)21)15(19)10-6-4-3-5-7-10/h3-9,12,15H,2,19H2,1H3,(H,20,21).
What are the key properties of 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 284.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).