2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

C12H14BrN3O2 — CID 107903731

IUPAC2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C12H14BrN3O2/c1-8(13)11(17)15-9-3-2-4-10(7-9)16-6-5-14-12(16)18/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyGEAKKRVEPFUTAP-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.94
Rot. Bonds3

About 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 107903731) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID107903731
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C12H14BrN3O2/c1-8(13)11(17)15-9-3-2-4-10(7-9)16-6-5-14-12(16)18/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,15,17)
InChIKeyGEAKKRVEPFUTAP-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 94123689
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
(2S)-2-amino-N-[3-(2-oxoimidazolidin-1-yl)phenyl]hexanamide
CID 103831459
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55831507
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
(2R)-2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 124607892
2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 122160047
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (CID 107903731) is 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is CC(Br)C(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is GEAKKRVEPFUTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8(13)11(17)15-9-3-2-4-10(7-9)16-6-5-14-12(16)18/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 312.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 107903731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).