3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one

C15H12BrFN2O — CID 43255296

IUPAC3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
SMILESNC1C(=O)N(Cc2ccc(F)cc2)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrFN2O/c16-10-3-6-12-13(7-10)19(15(20)14(12)18)8-9-1-4-11(17)5-2-9/h1-7,14H,8,18H2
InChIKeyZBHLODZUFWIRKJ-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.13
Rot. Bonds2

About 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one

3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one (PubChem CID 43255296) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
PubChem CID43255296
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
SMILESNC1C(=O)N(Cc2ccc(F)cc2)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrFN2O/c16-10-3-6-12-13(7-10)19(15(20)14(12)18)8-9-1-4-11(17)5-2-9/h1-7,14H,8,18H2
InChIKeyZBHLODZUFWIRKJ-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255070
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
3-amino-6-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255301
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one
CID 43255133
7-bromo-1-[(4-fluorophenyl)methyl]-2-methoxy-4-methyl-4H-quinoline-3-carboxylic acid
CID 123878275
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255271

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one (CID 43255296) is 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one is NC1C(=O)N(Cc2ccc(F)cc2)c2cc(Br)ccc21.
What is the InChIKey of 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one?
The InChIKey is ZBHLODZUFWIRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-10-3-6-12-13(7-10)19(15(20)14(12)18)8-9-1-4-11(17)5-2-9/h1-7,14H,8,18H2.
What are the key properties of 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one?
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one has a molecular weight of 335.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43255296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).