6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one

C15H12ClFN2O — CID 43691684

IUPAC6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccc(F)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H12ClFN2O/c16-12-7-13-10(6-15(20)19-13)5-14(12)18-8-9-1-3-11(17)4-2-9/h1-5,7,18H,6,8H2,(H,19,20)
InChIKeyONLZDCICDPUZGJ-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.59
Rot. Bonds3

About 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one

6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43691684) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43691684
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccc(F)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H12ClFN2O/c16-12-7-13-10(6-15(20)19-13)5-14(12)18-8-9-1-3-11(17)4-2-9/h1-5,7,18H,6,8H2,(H,19,20)
InChIKeyONLZDCICDPUZGJ-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (CID 43691684) is 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3ccc(F)cc3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is ONLZDCICDPUZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-12-7-13-10(6-15(20)19-13)5-14(12)18-8-9-1-3-11(17)4-2-9/h1-5,7,18H,6,8H2,(H,19,20).
What are the key properties of 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 290.73 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(4-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).