N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C13H13BrN2O3 — CID 36662901

IUPACN-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccccc1Br
InChIInChI=1S/C13H13BrN2O3/c14-9-3-1-2-4-10(9)15-11(17)7-8-16-12(18)5-6-13(16)19/h1-4H,5-8H2,(H,15,17)
InChIKeyGUZPSFDZYIOUJP-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.93
Rot. Bonds4

About N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 36662901) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID36662901
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC NameN-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccccc1Br
InChIInChI=1S/C13H13BrN2O3/c14-9-3-1-2-4-10(9)15-11(17)7-8-16-12(18)5-6-13(16)19/h1-4H,5-8H2,(H,15,17)
InChIKeyGUZPSFDZYIOUJP-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.93
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

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 38282948
N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024617
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
CID 17034974
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035040
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
N-(2-bromophenyl)butanamide
CID 732405
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 36662901) is N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is GUZPSFDZYIOUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c14-9-3-1-2-4-10(9)15-11(17)7-8-16-12(18)5-6-13(16)19/h1-4H,5-8H2,(H,15,17).
What are the key properties of N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 325.16 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 36662901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).