N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C20H15BrN4O3 — CID 55764650

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H15BrN4O3/c21-14-11-22-24(12-14)17-4-2-1-3-16(17)23-20(28)13-5-7-15(8-6-13)25-18(26)9-10-19(25)27/h1-8,11-12H,9-10H2,(H,23,28)
InChIKeyCTLHTDKQPVOIMI-UHFFFAOYSA-N
MW439.27 g/mol
LogP3.54
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 55764650) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID55764650
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H15BrN4O3/c21-14-11-22-24(12-14)17-4-2-1-3-16(17)23-20(28)13-5-7-15(8-6-13)25-18(26)9-10-19(25)27/h1-8,11-12H,9-10H2,(H,23,28)
InChIKeyCTLHTDKQPVOIMI-UHFFFAOYSA-N
XLogP3.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557741
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4065398
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
S-[2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579674
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55699495
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
CID 2891364
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
4-(4-bromopyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46438099

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 55764650) is N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1ccccc1-n1cc(Br)cn1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is CTLHTDKQPVOIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c21-14-11-22-24(12-14)17-4-2-1-3-16(17)23-20(28)13-5-7-15(8-6-13)25-18(26)9-10-19(25)27/h1-8,11-12H,9-10H2,(H,23,28).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 439.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55764650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).