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

C14H8ClF3N2O — CID 43095076

IUPAC5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H8ClF3N2O/c15-6-1-3-9-7(5-6)13(14(21)20-9)19-10-4-2-8(16)11(17)12(10)18/h1-5,13,19H,(H,20,21)
InChIKeyJOTWGVWBTCJXAD-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.86
Rot. Bonds2

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

5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one (PubChem CID 43095076) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one
PubChem CID43095076
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H8ClF3N2O/c15-6-1-3-9-7(5-6)13(14(21)20-9)19-10-4-2-8(16)11(17)12(10)18/h1-5,13,19H,(H,20,21)
InChIKeyJOTWGVWBTCJXAD-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43347233
3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43201943
3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43126586
5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
5-chloro-3-(1H-pyrazol-4-ylamino)-1,3-dihydroindol-2-one
CID 43539934
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43716228
3-(1-benzothiophen-5-ylamino)-5-chloro-1,3-dihydroindol-2-one
CID 43687791
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one (CID 43095076) is 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one?
The InChIKey is JOTWGVWBTCJXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-6-1-3-9-7(5-6)13(14(21)20-9)19-10-4-2-8(16)11(17)12(10)18/h1-5,13,19H,(H,20,21).
What are the key properties of 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one?
5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one has a molecular weight of 312.68 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,3,4-trifluoroanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43095076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).