5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

C16H14ClFN2O — CID 43098761

IUPAC5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1NCCc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(18)5-2-10/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyUVCWJULQXYHKLZ-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.30
Rot. Bonds4

About 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43098761) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43098761
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1NCCc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(18)5-2-10/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyUVCWJULQXYHKLZ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (CID 43098761) is 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1NCCc1ccc(F)cc1.
What is the InChIKey of 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is UVCWJULQXYHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(18)5-2-10/h1-6,9,15,19H,7-8H2,(H,20,21).
What are the key properties of 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 304.75 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43098761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).