3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one

C15H13ClFN3O — CID 79343637

IUPAC3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one
SMILESCN(c1cccc(F)c1)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C15H13ClFN3O/c1-20(9-4-2-3-8(17)5-9)13-7-12-10(6-11(13)16)14(18)15(21)19-12/h2-7,14H,18H2,1H3,(H,19,21)
InChIKeyWNKZKRMRLJGSEN-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.20
Rot. Bonds2

About 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 79343637) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one
PubChem CID79343637
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one
SMILESCN(c1cccc(F)c1)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C15H13ClFN3O/c1-20(9-4-2-3-8(17)5-9)13-7-12-10(6-11(13)16)14(18)15(21)19-12/h2-7,14H,18H2,1H3,(H,19,21)
InChIKeyWNKZKRMRLJGSEN-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one (CID 79343637) is 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one is CN(c1cccc(F)c1)c1cc2c(cc1Cl)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is WNKZKRMRLJGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-20(9-4-2-3-8(17)5-9)13-7-12-10(6-11(13)16)14(18)15(21)19-12/h2-7,14H,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one has a molecular weight of 305.74 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).