N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide

C12H10Cl3NO4 — CID 2525176

IUPACN-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCOC1=O
InChIInChI=1S/C12H10Cl3NO4/c13-6-3-8(15)10(4-7(6)14)20-5-11(17)16-9-1-2-19-12(9)18/h3-4,9H,1-2,5H2,(H,16,17)/t9-/m1/s1
InChIKeyGULIWJFIVCRLMB-SECBINFHSA-N
MW338.57 g/mol
LogP2.46
Rot. Bonds4

About N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 2525176) has the molecular formula C12H10Cl3NO4 and a molecular weight of 338.57 g/mol. Its IUPAC name is N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID2525176
Molecular FormulaC12H10Cl3NO4
Molecular Weight338.57 g/mol
Exact Mass336.97
IUPAC NameN-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCOC1=O
InChIInChI=1S/C12H10Cl3NO4/c13-6-3-8(15)10(4-7(6)14)20-5-11(17)16-9-1-2-19-12(9)18/h3-4,9H,1-2,5H2,(H,16,17)/t9-/m1/s1
InChIKeyGULIWJFIVCRLMB-SECBINFHSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium
CID 90133688
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl] nitrate
CID 90133686
N-(2-oxooxolan-3-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 2998651
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7477102
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 49074675
6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
CID 65418345

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 2525176) is N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCOC1=O.
What is the InChIKey of N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is GULIWJFIVCRLMB-SECBINFHSA-N. The full InChI is InChI=1S/C12H10Cl3NO4/c13-6-3-8(15)10(4-7(6)14)20-5-11(17)16-9-1-2-19-12(9)18/h3-4,9H,1-2,5H2,(H,16,17)/t9-/m1/s1.
What are the key properties of N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 338.57 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 2525176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).