7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one

C9H8ClFN2O — CID 170020463

IUPAC7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H8ClFN2O/c1-12-8-6-5(11)3-2-4(10)7(6)13-9(8)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyUXDWGBYORFMEND-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.69
Rot. Bonds1

About 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one

7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 170020463) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID170020463
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H8ClFN2O/c1-12-8-6-5(11)3-2-4(10)7(6)13-9(8)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyUXDWGBYORFMEND-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one (CID 170020463) is 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2c(Cl)ccc(F)c21.
What is the InChIKey of 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is UXDWGBYORFMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c1-12-8-6-5(11)3-2-4(10)7(6)13-9(8)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 214.63 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 170020463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).