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

C9H8ClFN2O — CID 82234607

IUPAC4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2c(F)ccc(Cl)c21
InChIInChI=1S/C9H8ClFN2O/c1-12-8-6-4(10)2-3-5(11)7(6)13-9(8)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyYNORRHDUWZTGDB-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.69
Rot. Bonds1

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

4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 82234607) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID82234607
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2c(F)ccc(Cl)c21
InChIInChI=1S/C9H8ClFN2O/c1-12-8-6-4(10)2-3-5(11)7(6)13-9(8)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyYNORRHDUWZTGDB-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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Related Compounds

7-chloro-5-methyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 82234591
2-(4,7-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 83215953
5-chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
6-(2-chloro-4-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63370065
3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
CID 82234613
6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 116689293
7-chloro-3-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 82239753
7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 82235334
3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
CID 163627145
2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one
CID 130512146
6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one
CID 90827714
methyl (4S)-4-(2-chloro-6-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 760384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one (CID 82234607) is 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2c(F)ccc(Cl)c21.
What is the InChIKey of 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is YNORRHDUWZTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c1-12-8-6-4(10)2-3-5(11)7(6)13-9(8)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one?
4-chloro-7-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 4-chloro-7-fluoro-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82234607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).