N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C13H15BrN2O3 — CID 47378611

IUPACN-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCOC2=O)ccc1Br
InChIInChI=1S/C13H15BrN2O3/c1-9-8-10(2-3-11(9)14)15-12(17)4-5-16-6-7-19-13(16)18/h2-3,8H,4-7H2,1H3,(H,15,17)
InChIKeyAGIOQZSNWGPQGQ-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.54
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 47378611) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID47378611
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCOC2=O)ccc1Br
InChIInChI=1S/C13H15BrN2O3/c1-9-8-10(2-3-11(9)14)15-12(17)4-5-16-6-7-19-13(16)18/h2-3,8H,4-7H2,1H3,(H,15,17)
InChIKeyAGIOQZSNWGPQGQ-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378353
N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
CID 110863119
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
N-(4-acetylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378519
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686957
N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 21148317
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide
CID 110859216

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 47378611) is N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is Cc1cc(NC(=O)CCN2CCOC2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is AGIOQZSNWGPQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-9-8-10(2-3-11(9)14)15-12(17)4-5-16-6-7-19-13(16)18/h2-3,8H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 327.18 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 47378611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).