1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one

C17H17FN2O — CID 109034782

IUPAC1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
SMILESO=C(CCNc1cccc(F)c1)N1CCc2ccccc21
InChIInChI=1S/C17H17FN2O/c18-14-5-3-6-15(12-14)19-10-8-17(21)20-11-9-13-4-1-2-7-16(13)20/h1-7,12,19H,8-11H2
InChIKeyDXMVZATVMUFGKW-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one (PubChem CID 109034782) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
PubChem CID109034782
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
SMILESO=C(CCNc1cccc(F)c1)N1CCc2ccccc21
InChIInChI=1S/C17H17FN2O/c18-14-5-3-6-15(12-14)19-10-8-17(21)20-11-9-13-4-1-2-7-16(13)20/h1-7,12,19H,8-11H2
InChIKeyDXMVZATVMUFGKW-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-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

1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-fluoroanilino)propan-1-one
CID 109024492
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
3-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzonitrile
CID 109034990
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
CID 109034727

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one (CID 109034782) is 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one is O=C(CCNc1cccc(F)c1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one?
The InChIKey is DXMVZATVMUFGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-5-3-6-15(12-14)19-10-8-17(21)20-11-9-13-4-1-2-7-16(13)20/h1-7,12,19H,8-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one has a molecular weight of 284.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one is sourced from PubChem (CID 109034782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).