N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide

C17H15BrN2O2 — CID 2969896

IUPACN-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C17H15BrN2O2/c1-11(21)19-16-14-9-13(18)7-8-15(14)20(17(16)22)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,19,21)
InChIKeyYOZQYFCUIPRFIO-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.17
Rot. Bonds3

About N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide

N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 2969896) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide
PubChem CID2969896
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C17H15BrN2O2/c1-11(21)19-16-14-9-13(18)7-8-15(14)20(17(16)22)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,19,21)
InChIKeyYOZQYFCUIPRFIO-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide (CID 2969896) is N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide is CC(=O)NC1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is YOZQYFCUIPRFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11(21)19-16-14-9-13(18)7-8-15(14)20(17(16)22)10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,19,21).
What are the key properties of N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide?
N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 359.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-bromo-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 2969896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).