N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C18H14Br2N2O3 — CID 39166499

IUPACN-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(Br)ccc1Br)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H14Br2N2O3/c19-13-5-6-14(20)15(9-13)21-18(25)12-3-1-11(2-4-12)10-22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)
InChIKeyNZDAYCOJDPUZLG-UHFFFAOYSA-N
MW466.13 g/mol
LogP4.11
Rot. Bonds4

About N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 39166499) has the molecular formula C18H14Br2N2O3 and a molecular weight of 466.13 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID39166499
Molecular FormulaC18H14Br2N2O3
Molecular Weight466.13 g/mol
Exact Mass463.94
IUPAC NameN-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(Br)ccc1Br)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H14Br2N2O3/c19-13-5-6-14(20)15(9-13)21-18(25)12-3-1-11(2-4-12)10-22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)
InChIKeyNZDAYCOJDPUZLG-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.13
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
CID 164609818
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 60593281
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 56530350
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39277380
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48666981

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 39166499) is N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1cc(Br)ccc1Br)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is NZDAYCOJDPUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2O3/c19-13-5-6-14(20)15(9-13)21-18(25)12-3-1-11(2-4-12)10-22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25).
What are the key properties of N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 466.13 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 39166499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).