3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one

C15H12BrFN2O — CID 43729652

IUPAC3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
SMILESCc1ccc(Br)cc1NC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C15H12BrFN2O/c1-8-2-3-9(16)6-12(8)18-14-11-5-4-10(17)7-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyDWZRQNBSKVWONT-UHFFFAOYSA-N
MW335.18 g/mol
LogP4.00
Rot. Bonds2

About 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one

3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one (PubChem CID 43729652) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
PubChem CID43729652
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
SMILESCc1ccc(Br)cc1NC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C15H12BrFN2O/c1-8-2-3-9(16)6-12(8)18-14-11-5-4-10(17)7-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyDWZRQNBSKVWONT-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43098794
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43192669
6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43097215
6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
CID 43195433
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
6-fluoro-3-(quinolin-8-ylamino)-1,3-dihydroindol-2-one
CID 43823553
5-fluoro-3-(4-iodo-2-methylanilino)-1,3-dihydroindol-2-one
CID 43717053
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one (CID 43729652) is 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one is Cc1ccc(Br)cc1NC1C(=O)Nc2cc(F)ccc21.
What is the InChIKey of 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
The InChIKey is DWZRQNBSKVWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c1-8-2-3-9(16)6-12(8)18-14-11-5-4-10(17)7-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one has a molecular weight of 335.18 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43729652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).