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

C15H12BrClN2O — CID 43691682

IUPAC5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccc(Br)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H12BrClN2O/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)
InChIKeyQJCVXIHOPYIIDD-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.21
Rot. Bonds3

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

5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 43691682) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
PubChem CID43691682
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccc(Br)cc3)c(Cl)cc2N1
InChIInChI=1S/C15H12BrClN2O/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)
InChIKeyQJCVXIHOPYIIDD-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.21
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-[(5-bromo-2-fluorophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 43691679
6-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 114452412
5-[(3-bromo-2-hydroxyphenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one
CID 61390866
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-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
N-[(4-bromophenyl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 43685775
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972
5-amino-6-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451710

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one (CID 43691682) is 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3ccc(Br)cc3)c(Cl)cc2N1.
What is the InChIKey of 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is QJCVXIHOPYIIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/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 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one?
5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 351.63 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methylamino]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43691682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).