7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one

C17H17FN2O2 — CID 82173241

IUPAC7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(N)c2cc(F)cc3c2NC(=O)C3C)cc1
InChIInChI=1S/C17H17FN2O2/c1-9-13-7-11(18)8-14(16(13)20-17(9)21)15(19)10-3-5-12(22-2)6-4-10/h3-9,15H,19H2,1-2H3,(H,20,21)
InChIKeyRABWINOTQYBYJF-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.94
Rot. Bonds3

About 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one

7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173241) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173241
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(N)c2cc(F)cc3c2NC(=O)C3C)cc1
InChIInChI=1S/C17H17FN2O2/c1-9-13-7-11(18)8-14(16(13)20-17(9)21)15(19)10-3-5-12(22-2)6-4-10/h3-9,15H,19H2,1-2H3,(H,20,21)
InChIKeyRABWINOTQYBYJF-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[amino(phenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173235
7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173237
7-[amino(phenyl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173281
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173591
7-[amino(phenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172454
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
5-[amino-(4-methylphenyl)methyl]-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173718
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173255
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173275
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
(4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607953

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one (CID 82173241) is 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one is COc1ccc(C(N)c2cc(F)cc3c2NC(=O)C3C)cc1.
What is the InChIKey of 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is RABWINOTQYBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-9-13-7-11(18)8-14(16(13)20-17(9)21)15(19)10-3-5-12(22-2)6-4-10/h3-9,15H,19H2,1-2H3,(H,20,21).
What are the key properties of 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 300.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).