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

C15H12BrClN2O — CID 43103046

IUPAC6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClN2O/c16-10-3-6-12-13(7-10)19-15(20)14(12)18-8-9-1-4-11(17)5-2-9/h1-7,14,18H,8H2,(H,19,20)
InChIKeyJRAPRSXWXPRAQF-UHFFFAOYSA-N
MW351.63 g/mol
LogP3.89
Rot. Bonds3

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

6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43103046) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43103046
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClN2O/c16-10-3-6-12-13(7-10)19-15(20)14(12)18-8-9-1-4-11(17)5-2-9/h1-7,14,18H,8H2,(H,19,20)
InChIKeyJRAPRSXWXPRAQF-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
CID 43206349
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080
6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43098794
6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one
CID 43190199
6-bromo-3-(3,4-dichloroanilino)-1,3-dihydroindol-2-one
CID 43109568
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
CID 82236806
6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204826
6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
CID 43195433
6-bromo-3-(2-pyridin-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43193701
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
6-bromo-3-(heptan-2-ylamino)-1,3-dihydroindol-2-one
CID 43572711

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one (CID 43103046) is 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one is O=C1Nc2cc(Br)ccc2C1NCc1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is JRAPRSXWXPRAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-10-3-6-12-13(7-10)19-15(20)14(12)18-8-9-1-4-11(17)5-2-9/h1-7,14,18H,8H2,(H,19,20).
What are the key properties of 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one?
6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 351.63 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43103046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).