3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide

C12H11Cl3N2O3 — CID 47072562

IUPAC3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide
SMILESO=C(CCN1CCOC1=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2O3/c13-7-5-9(15)10(6-8(7)14)16-11(18)1-2-17-3-4-20-12(17)19/h5-6H,1-4H2,(H,16,18)
InChIKeyUYXITLMODQEAGK-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.43
Rot. Bonds4

About 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide

3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 47072562) has the molecular formula C12H11Cl3N2O3 and a molecular weight of 337.59 g/mol. Its IUPAC name is 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID47072562
Molecular FormulaC12H11Cl3N2O3
Molecular Weight337.59 g/mol
Exact Mass335.98
IUPAC Name3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide
SMILESO=C(CCN1CCOC1=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2O3/c13-7-5-9(15)10(6-8(7)14)16-11(18)1-2-17-3-4-20-12(17)19/h5-6H,1-4H2,(H,16,18)
InChIKeyUYXITLMODQEAGK-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686963
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686958
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686957
N-(4-chloro-2-methylphenyl)-3-(2-oxo-1,3-oxazinan-3-yl)propanamide
CID 110859216
N-(4-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378353
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686968
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
N-(4-acetylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378519
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377766
3,4-dichloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719239

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide (CID 47072562) is 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide is O=C(CCN1CCOC1=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is UYXITLMODQEAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O3/c13-7-5-9(15)10(6-8(7)14)16-11(18)1-2-17-3-4-20-12(17)19/h5-6H,1-4H2,(H,16,18).
What are the key properties of 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide?
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 337.59 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 47072562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).