4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile

C17H16FN3O — CID 143636840

IUPAC4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile
SMILESCC1(C)CC(=O)c2c(c(-c3ccc(C#N)c(F)c3)cn2N)C1
InChIInChI=1S/C17H16FN3O/c1-17(2)6-12-13(9-21(20)16(12)15(22)7-17)10-3-4-11(8-19)14(18)5-10/h3-5,9H,6-7,20H2,1-2H3
InChIKeyKOGOAYKUFDEVFO-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.03
Rot. Bonds1

About 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile

4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile (PubChem CID 143636840) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile
PubChem CID143636840
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile
SMILESCC1(C)CC(=O)c2c(c(-c3ccc(C#N)c(F)c3)cn2N)C1
InChIInChI=1S/C17H16FN3O/c1-17(2)6-12-13(9-21(20)16(12)15(22)7-17)10-3-4-11(8-19)14(18)5-10/h3-5,9H,6-7,20H2,1-2H3
InChIKeyKOGOAYKUFDEVFO-UHFFFAOYSA-N
XLogP3.03
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile?
The IUPAC name of 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile (CID 143636840) is 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile is CC1(C)CC(=O)c2c(c(-c3ccc(C#N)c(F)c3)cn2N)C1.
What is the InChIKey of 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile?
The InChIKey is KOGOAYKUFDEVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-17(2)6-12-13(9-21(20)16(12)15(22)7-17)10-3-4-11(8-19)14(18)5-10/h3-5,9H,6-7,20H2,1-2H3.
What are the key properties of 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile?
4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile has a molecular weight of 297.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-5,5-dimethyl-7-oxo-4,6-dihydroindol-3-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 143636840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).