3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide

C24H19BrN2O4 — CID 2342210

IUPAC3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C24H19BrN2O4/c1-31-19-9-5-8-18(15-19)26(22(28)16-6-4-7-17(25)14-16)12-13-27-23(29)20-10-2-3-11-21(20)24(27)30/h2-11,14-15H,12-13H2,1H3
InChIKeyWTRCSTVHDSPMJX-UHFFFAOYSA-N
MW479.33 g/mol
LogP4.40
Rot. Bonds6

About 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide

3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 2342210) has the molecular formula C24H19BrN2O4 and a molecular weight of 479.33 g/mol. Its IUPAC name is 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
PubChem CID2342210
Molecular FormulaC24H19BrN2O4
Molecular Weight479.33 g/mol
Exact Mass478.05
IUPAC Name3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C24H19BrN2O4/c1-31-19-9-5-8-18(15-19)26(22(28)16-6-4-7-17(25)14-16)12-13-27-23(29)20-10-2-3-11-21(20)24(27)30/h2-11,14-15H,12-13H2,1H3
InChIKeyWTRCSTVHDSPMJX-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 100772639
N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-chloro-N-(4-methoxyphenyl)benzamide
CID 3959956
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-methoxyphenyl)adamantane-1-carboxamide
CID 3617336
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
4-bromo-N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(2-methoxyphenyl)benzamide
CID 4015913
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
CID 3914689
N-[2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3,5-dimethoxybenzamide
CID 4042297

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide (CID 2342210) is 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is WTRCSTVHDSPMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O4/c1-31-19-9-5-8-18(15-19)26(22(28)16-6-4-7-17(25)14-16)12-13-27-23(29)20-10-2-3-11-21(20)24(27)30/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide?
3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 479.33 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 2342210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).