2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide

C17H17BrN2O2 — CID 145288536

IUPAC2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide
SMILESCc1c2c(n(-c3ccc(C(N)=O)c(Br)c3)c1C)CCCC2=O
InChIInChI=1S/C17H17BrN2O2/c1-9-10(2)20(14-4-3-5-15(21)16(9)14)11-6-7-12(17(19)22)13(18)8-11/h6-8H,3-5H2,1-2H3,(H2,19,22)
InChIKeyAARKZDSKTXHLBS-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide

2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide (PubChem CID 145288536) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide
PubChem CID145288536
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide
SMILESCc1c2c(n(-c3ccc(C(N)=O)c(Br)c3)c1C)CCCC2=O
InChIInChI=1S/C17H17BrN2O2/c1-9-10(2)20(14-4-3-5-15(21)16(9)14)11-6-7-12(17(19)22)13(18)8-11/h6-8H,3-5H2,1-2H3,(H2,19,22)
InChIKeyAARKZDSKTXHLBS-UHFFFAOYSA-N
XLogP3.47
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide?
The IUPAC name of 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide (CID 145288536) is 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide.
What is the SMILES notation for 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide?
The canonical SMILES for 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide is Cc1c2c(n(-c3ccc(C(N)=O)c(Br)c3)c1C)CCCC2=O.
What is the InChIKey of 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide?
The InChIKey is AARKZDSKTXHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-9-10(2)20(14-4-3-5-15(21)16(9)14)11-6-7-12(17(19)22)13(18)8-11/h6-8H,3-5H2,1-2H3,(H2,19,22).
What are the key properties of 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide?
2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide is sourced from PubChem (CID 145288536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).