3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one

C12H14F2N2O — CID 114994766

IUPAC3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one
SMILESCCCCNC1C(=O)Nc2c(F)cc(F)cc21
InChIInChI=1S/C12H14F2N2O/c1-2-3-4-15-11-8-5-7(13)6-9(14)10(8)16-12(11)17/h5-6,11,15H,2-4H2,1H3,(H,16,17)
InChIKeyPDUAQHNCHKIFHO-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.35
Rot. Bonds4

About 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one

3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one (PubChem CID 114994766) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one
PubChem CID114994766
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one
SMILESCCCCNC1C(=O)Nc2c(F)cc(F)cc21
InChIInChI=1S/C12H14F2N2O/c1-2-3-4-15-11-8-5-7(13)6-9(14)10(8)16-12(11)17/h5-6,11,15H,2-4H2,1H3,(H,16,17)
InChIKeyPDUAQHNCHKIFHO-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5,7-difluoro-2-oxo-1,3-dihydroindol-3-yl)amino]propanenitrile
CID 114990300
5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 82236748
3-[(7-fluoro-5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanenitrile
CID 114993646
3-(4-aminobutylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 114996534
3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986568
5,7-difluoro-3-pent-3-ynyl-1,3-dihydroindol-2-one
CID 106987276
(3S,5S)-3-amino-7,9-difluoro-5-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 130317511
5-fluoro-7-methoxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 82235414
3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986942
3-ethyl-5,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 84621637
2-ethyl-5,7-difluoro-4H-1,4-benzothiazin-3-one
CID 105356058
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173571

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one (CID 114994766) is 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one is CCCCNC1C(=O)Nc2c(F)cc(F)cc21.
What is the InChIKey of 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one?
The InChIKey is PDUAQHNCHKIFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-2-3-4-15-11-8-5-7(13)6-9(14)10(8)16-12(11)17/h5-6,11,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one?
3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one has a molecular weight of 240.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-5,7-difluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 114994766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).