N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C16H12BrN3O3 — CID 4065398

IUPACN-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H12BrN3O3/c17-11-3-6-13(18-9-11)19-16(23)10-1-4-12(5-2-10)20-14(21)7-8-15(20)22/h1-6,9H,7-8H2,(H,18,19,23)
InChIKeyJEPKKKKIHJCUCO-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.75
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 4065398) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID4065398
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H12BrN3O3/c17-11-3-6-13(18-9-11)19-16(23)10-1-4-12(5-2-10)20-14(21)7-8-15(20)22/h1-6,9H,7-8H2,(H,18,19,23)
InChIKeyJEPKKKKIHJCUCO-UHFFFAOYSA-N
XLogP2.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide
CID 55504518
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55764650
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
N-(5-bromo-2-pyridinyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 29260312
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 7318599
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 4065398) is N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc(Br)cn1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is JEPKKKKIHJCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c17-11-3-6-13(18-9-11)19-16(23)10-1-4-12(5-2-10)20-14(21)7-8-15(20)22/h1-6,9H,7-8H2,(H,18,19,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 374.19 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4065398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).