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

C15H11ClF2N2O — CID 43691671

IUPAC6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cc(F)ccc3F)c(Cl)cc2N1
InChIInChI=1S/C15H11ClF2N2O/c16-11-6-13-8(5-15(21)20-13)4-14(11)19-7-9-3-10(17)1-2-12(9)18/h1-4,6,19H,5,7H2,(H,20,21)
InChIKeyQOIKQRIGBGVFQR-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.72
Rot. Bonds3

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

6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43691671) has the molecular formula C15H11ClF2N2O and a molecular weight of 308.72 g/mol. Its IUPAC name is 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43691671
Molecular FormulaC15H11ClF2N2O
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cc(F)ccc3F)c(Cl)cc2N1
InChIInChI=1S/C15H11ClF2N2O/c16-11-6-13-8(5-15(21)20-13)4-14(11)19-7-9-3-10(17)1-2-12(9)18/h1-4,6,19H,5,7H2,(H,20,21)
InChIKeyQOIKQRIGBGVFQR-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one (CID 43691671) is 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3cc(F)ccc3F)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is QOIKQRIGBGVFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O/c16-11-6-13-8(5-15(21)20-13)4-14(11)19-7-9-3-10(17)1-2-12(9)18/h1-4,6,19H,5,7H2,(H,20,21).
What are the key properties of 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 308.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(2,5-difluorophenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).