5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

C17H13BrN2O4 — CID 1016736

IUPAC5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H13BrN2O4/c1-20-16(22)11-5-4-10(8-12(11)17(20)23)19-15(21)13-7-9(18)3-6-14(13)24-2/h3-8H,1-2H3,(H,19,21)
InChIKeyBLRBWXYOMSLSJV-UHFFFAOYSA-N
MW389.21 g/mol
LogP2.94
Rot. Bonds3

About 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide

5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 1016736) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID1016736
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H13BrN2O4/c1-20-16(22)11-5-4-10(8-12(11)17(20)23)19-15(21)13-7-9(18)3-6-14(13)24-2/h3-8H,1-2H3,(H,19,21)
InChIKeyBLRBWXYOMSLSJV-UHFFFAOYSA-N
XLogP2.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 1016736) is 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is COc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is BLRBWXYOMSLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c1-20-16(22)11-5-4-10(8-12(11)17(20)23)19-15(21)13-7-9(18)3-6-14(13)24-2/h3-8H,1-2H3,(H,19,21).
What are the key properties of 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 389.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 1016736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).