3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one

C14H9ClF2N2O — CID 43119152

IUPAC3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClF2N2O/c15-10-6-8(2-3-11(10)17)18-13-9-5-7(16)1-4-12(9)19-14(13)20/h1-6,13,18H,(H,19,20)
InChIKeyMFYLXWUFGJFMIO-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.72
Rot. Bonds2

About 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one

3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 43119152) has the molecular formula C14H9ClF2N2O and a molecular weight of 294.69 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID43119152
Molecular FormulaC14H9ClF2N2O
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClF2N2O/c15-10-6-8(2-3-11(10)17)18-13-9-5-7(16)1-4-12(9)19-14(13)20/h1-6,13,18H,(H,19,20)
InChIKeyMFYLXWUFGJFMIO-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-fluoroanilino)-5-fluoro-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

Related Compounds

5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036
3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196077
3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43732703
5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43716228
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411
3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
CID 43687791
5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
CID 43126295

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one (CID 43119152) is 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is MFYLXWUFGJFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O/c15-10-6-8(2-3-11(10)17)18-13-9-5-7(16)1-4-12(9)19-14(13)20/h1-6,13,18H,(H,19,20).
What are the key properties of 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 294.69 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43119152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).