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

C15H11Cl2FN2O — CID 114452412

IUPAC6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cc(F)cc(Cl)c3)c(Cl)cc2N1
InChIInChI=1S/C15H11Cl2FN2O/c16-10-1-8(2-11(18)5-10)7-19-14-3-9-4-15(21)20-13(9)6-12(14)17/h1-3,5-6,19H,4,7H2,(H,20,21)
InChIKeyDIQVVJGVBGKQNL-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.24
Rot. Bonds3

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

6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 114452412) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID114452412
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3cc(F)cc(Cl)c3)c(Cl)cc2N1
InChIInChI=1S/C15H11Cl2FN2O/c16-10-1-8(2-11(18)5-10)7-19-14-3-9-4-15(21)20-13(9)6-12(14)17/h1-3,5-6,19H,4,7H2,(H,20,21)
InChIKeyDIQVVJGVBGKQNL-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43691683
5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 43691682
5-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 43691679
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
6-chloro-5-[(5-nitrothiophen-3-yl)methylamino]-1,3-dihydroindol-2-one
CID 60811422
6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 62758930
5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 61390866
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 80553609
tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate
CID 103821736
3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 60849399
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (CID 114452412) is 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3cc(F)cc(Cl)c3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is DIQVVJGVBGKQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c16-10-1-8(2-11(18)5-10)7-19-14-3-9-4-15(21)20-13(9)6-12(14)17/h1-3,5-6,19H,4,7H2,(H,20,21).
What are the key properties of 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 325.17 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 114452412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).