3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one

C15H11Br2FN2O — CID 43255070

IUPAC3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
SMILESNC1C(=O)N(Cc2cc(Br)ccc2F)c2ccc(Br)cc21
InChIInChI=1S/C15H11Br2FN2O/c16-9-1-3-12(18)8(5-9)7-20-13-4-2-10(17)6-11(13)14(19)15(20)21/h1-6,14H,7,19H2
InChIKeyPQYXBZFJDPAYSJ-UHFFFAOYSA-N
MW414.07 g/mol
LogP3.90
Rot. Bonds2

About 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one

3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one (PubChem CID 43255070) has the molecular formula C15H11Br2FN2O and a molecular weight of 414.07 g/mol. Its IUPAC name is 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
PubChem CID43255070
Molecular FormulaC15H11Br2FN2O
Molecular Weight414.07 g/mol
Exact Mass411.92
IUPAC Name3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
SMILESNC1C(=O)N(Cc2cc(Br)ccc2F)c2ccc(Br)cc21
InChIInChI=1S/C15H11Br2FN2O/c16-9-1-3-12(18)8(5-9)7-20-13-4-2-10(17)6-11(13)14(19)15(20)21/h1-6,14H,7,19H2
InChIKeyPQYXBZFJDPAYSJ-UHFFFAOYSA-N
XLogP3.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.07
LogP ≤ 53.90
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-4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255213
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255083
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
CID 43255081
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione
CID 66063422
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
CID 43255085
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367927

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one (CID 43255070) is 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one is NC1C(=O)N(Cc2cc(Br)ccc2F)c2ccc(Br)cc21.
What is the InChIKey of 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one?
The InChIKey is PQYXBZFJDPAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FN2O/c16-9-1-3-12(18)8(5-9)7-20-13-4-2-10(17)6-11(13)14(19)15(20)21/h1-6,14H,7,19H2.
What are the key properties of 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one?
3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one has a molecular weight of 414.07 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43255070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).