5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one

C17H17FN2O — CID 43119610

IUPAC5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)Cc3ccccc3F)ccc21
InChIInChI=1S/C17H17FN2O/c1-20-16-7-6-12(8-13(16)10-17(20)21)15(19)9-11-4-2-3-5-14(11)18/h2-8,15H,9-10,19H2,1H3
InChIKeyBXVRUBSCYWALAT-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.59
Rot. Bonds3

About 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one

5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one (PubChem CID 43119610) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
PubChem CID43119610
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)Cc3ccccc3F)ccc21
InChIInChI=1S/C17H17FN2O/c1-20-16-7-6-12(8-13(16)10-17(20)21)15(19)9-11-4-2-3-5-14(11)18/h2-8,15H,9-10,19H2,1H3
InChIKeyBXVRUBSCYWALAT-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one (CID 43119610) is 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)Cc3ccccc3F)ccc21.
What is the InChIKey of 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
The InChIKey is BXVRUBSCYWALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20-16-7-6-12(8-13(16)10-17(20)21)15(19)9-11-4-2-3-5-14(11)18/h2-8,15H,9-10,19H2,1H3.
What are the key properties of 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one?
5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one has a molecular weight of 284.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43119610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).