6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one

C14H17ClF2N2O2 — CID 103207272

IUPAC6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one
SMILESCNC(CCOCC(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H17ClF2N2O2/c1-18-11(2-3-21-7-13(16)17)9-4-8-5-14(20)19-12(8)6-10(9)15/h4,6,11,13,18H,2-3,5,7H2,1H3,(H,19,20)
InChIKeyOKMZMLTVKDBXKV-UHFFFAOYSA-N
MW318.75 g/mol
LogP2.77
Rot. Bonds7

About 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one

6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one (PubChem CID 103207272) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one
PubChem CID103207272
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC Name6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one
SMILESCNC(CCOCC(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H17ClF2N2O2/c1-18-11(2-3-21-7-13(16)17)9-4-8-5-14(20)19-12(8)6-10(9)15/h4,6,11,13,18H,2-3,5,7H2,1H3,(H,19,20)
InChIKeyOKMZMLTVKDBXKV-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-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 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one (CID 103207272) is 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one is CNC(CCOCC(F)F)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
The InChIKey is OKMZMLTVKDBXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2/c1-18-11(2-3-21-7-13(16)17)9-4-8-5-14(20)19-12(8)6-10(9)15/h4,6,11,13,18H,2-3,5,7H2,1H3,(H,19,20).
What are the key properties of 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one?
6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one has a molecular weight of 318.75 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[3-(2,2-difluoroethoxy)-1-(methylamino)propyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103207272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).