2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide

C24H19BrN2O4 — CID 2326703

IUPAC2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C24H19BrN2O4/c1-2-31-17-13-11-16(12-14-17)26(24(30)20-9-5-6-10-21(20)25)15-27-22(28)18-7-3-4-8-19(18)23(27)29/h3-14H,2,15H2,1H3
InChIKeyMGAHNJBEKRVEIB-UHFFFAOYSA-N
MW479.33 g/mol
LogP4.75
Rot. Bonds6

About 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide

2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide (PubChem CID 2326703) has the molecular formula C24H19BrN2O4 and a molecular weight of 479.33 g/mol. Its IUPAC name is 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
PubChem CID2326703
Molecular FormulaC24H19BrN2O4
Molecular Weight479.33 g/mol
Exact Mass478.05
IUPAC Name2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C24H19BrN2O4/c1-2-31-17-13-11-16(12-14-17)26(24(30)20-9-5-6-10-21(20)25)15-27-22(28)18-7-3-4-8-19(18)23(27)29/h3-14H,2,15H2,1H3
InChIKeyMGAHNJBEKRVEIB-UHFFFAOYSA-N
XLogP4.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
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 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide (CID 2326703) is 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is MGAHNJBEKRVEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O4/c1-2-31-17-13-11-16(12-14-17)26(24(30)20-9-5-6-10-21(20)25)15-27-22(28)18-7-3-4-8-19(18)23(27)29/h3-14H,2,15H2,1H3.
What are the key properties of 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 479.33 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 2326703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).