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

C15H12Cl2N2O — CID 43691683

IUPAC6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccc(Cl)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H12Cl2N2O/c16-11-3-1-9(2-4-11)8-18-14-5-10-6-15(20)19-13(10)7-12(14)17/h1-5,7,18H,6,8H2,(H,19,20)
InChIKeyMIJZROVNFPFLMI-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.10
Rot. Bonds3

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

6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43691683) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43691683
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccc(Cl)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H12Cl2N2O/c16-11-3-1-9(2-4-11)8-18-14-5-10-6-15(20)19-13(10)7-12(14)17/h1-5,7,18H,6,8H2,(H,19,20)
InChIKeyMIJZROVNFPFLMI-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 43691682
6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 114452412
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-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 62758930
6-chloro-5-[(5-nitrothiophen-3-yl)methylamino]-1,3-dihydroindol-2-one
CID 60811422
5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 61390866
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
5-amino-6-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451710
6-chloro-5-(piperidin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 80553609

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one (CID 43691683) is 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3ccc(Cl)cc3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is MIJZROVNFPFLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-11-3-1-9(2-4-11)8-18-14-5-10-6-15(20)19-13(10)7-12(14)17/h1-5,7,18H,6,8H2,(H,19,20).
What are the key properties of 6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 307.18 g/mol, XLogP of 4.10, 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-chlorophenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).