7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one

C16H14BrNO — CID 171783469

IUPAC7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(C2C(=O)Nc3c(Br)cccc32)cc1C
InChIInChI=1S/C16H14BrNO/c1-9-6-7-11(8-10(9)2)14-12-4-3-5-13(17)15(12)18-16(14)19/h3-8,14H,1-2H3,(H,18,19)
InChIKeyGREZHASYWYBBHM-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.15
Rot. Bonds1

About 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one

7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one (PubChem CID 171783469) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
PubChem CID171783469
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(C2C(=O)Nc3c(Br)cccc32)cc1C
InChIInChI=1S/C16H14BrNO/c1-9-6-7-11(8-10(9)2)14-12-4-3-5-13(17)15(12)18-16(14)19/h3-8,14H,1-2H3,(H,18,19)
InChIKeyGREZHASYWYBBHM-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one (CID 171783469) is 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one is Cc1ccc(C2C(=O)Nc3c(Br)cccc32)cc1C.
What is the InChIKey of 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is GREZHASYWYBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-9-6-7-11(8-10(9)2)14-12-4-3-5-13(17)15(12)18-16(14)19/h3-8,14H,1-2H3,(H,18,19).
What are the key properties of 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one?
7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 316.20 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 171783469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).