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

C16H15FN2O — CID 82173235

IUPAC7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c1cc(F)cc2C(N)c1ccccc1
InChIInChI=1S/C16H15FN2O/c1-9-12-7-11(17)8-13(15(12)19-16(9)20)14(18)10-5-3-2-4-6-10/h2-9,14H,18H2,1H3,(H,19,20)
InChIKeyMJUYPFUNKDDVRB-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.93
Rot. Bonds2

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

7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173235) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173235
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c1cc(F)cc2C(N)c1ccccc1
InChIInChI=1S/C16H15FN2O/c1-9-12-7-11(17)8-13(15(12)19-16(9)20)14(18)10-5-3-2-4-6-10/h2-9,14H,18H2,1H3,(H,19,20)
InChIKeyMJUYPFUNKDDVRB-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one (CID 82173235) is 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c1cc(F)cc2C(N)c1ccccc1.
What is the InChIKey of 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is MJUYPFUNKDDVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-9-12-7-11(17)8-13(15(12)19-16(9)20)14(18)10-5-3-2-4-6-10/h2-9,14H,18H2,1H3,(H,19,20).
What are the key properties of 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).