5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione

C15H10ClFN2O2 — CID 79342754

IUPAC5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione
SMILESCN(c1ccc(F)cc1)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H10ClFN2O2/c1-19(9-4-2-8(17)3-5-9)13-7-12-10(6-11(13)16)14(20)15(21)18-12/h2-7H,1H3,(H,18,20,21)
InChIKeyKQIHNUVHEJNNIF-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.38
Rot. Bonds2

About 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione

5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione (PubChem CID 79342754) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione
PubChem CID79342754
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione
SMILESCN(c1ccc(F)cc1)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H10ClFN2O2/c1-19(9-4-2-8(17)3-5-9)13-7-12-10(6-11(13)16)14(20)15(21)18-12/h2-7H,1H3,(H,18,20,21)
InChIKeyKQIHNUVHEJNNIF-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione (CID 79342754) is 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione is CN(c1ccc(F)cc1)c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione?
The InChIKey is KQIHNUVHEJNNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-19(9-4-2-8(17)3-5-9)13-7-12-10(6-11(13)16)14(20)15(21)18-12/h2-7H,1H3,(H,18,20,21).
What are the key properties of 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione?
5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione has a molecular weight of 304.71 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-fluoro-N-methylanilino)-1H-indole-2,3-dione is sourced from PubChem (CID 79342754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).