N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C24H28BrN3O3 — CID 55985618

IUPACN-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H28BrN3O3/c1-3-26(4-2)14-15-27(21-7-5-6-20(25)16-21)24(31)19-10-8-18(9-11-19)17-28-22(29)12-13-23(28)30/h5-11,16H,3-4,12-15,17H2,1-2H3
InChIKeyZSKSYGPUDZTMJO-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.09
Rot. Bonds9

About N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55985618) has the molecular formula C24H28BrN3O3 and a molecular weight of 486.41 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55985618
Molecular FormulaC24H28BrN3O3
Molecular Weight486.41 g/mol
Exact Mass485.13
IUPAC NameN-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H28BrN3O3/c1-3-26(4-2)14-15-27(21-7-5-6-20(25)16-21)24(31)19-10-8-18(9-11-19)17-28-22(29)12-13-23(28)30/h5-11,16H,3-4,12-15,17H2,1-2H3
InChIKeyZSKSYGPUDZTMJO-UHFFFAOYSA-N
XLogP4.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.09
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 N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 55985618) is N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is ZSKSYGPUDZTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O3/c1-3-26(4-2)14-15-27(21-7-5-6-20(25)16-21)24(31)19-10-8-18(9-11-19)17-28-22(29)12-13-23(28)30/h5-11,16H,3-4,12-15,17H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 486.41 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55985618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).