N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide

C11H12Cl3NO4 — CID 66176024

IUPACN-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NCC(O)CO
InChIInChI=1S/C11H12Cl3NO4/c12-7-1-9(14)10(2-8(7)13)19-5-11(18)15-3-6(17)4-16/h1-2,6,16-17H,3-5H2,(H,15,18)
InChIKeyXRAZHWCCSFFPAK-UHFFFAOYSA-N
MW328.58 g/mol
LogP1.50
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 66176024) has the molecular formula C11H12Cl3NO4 and a molecular weight of 328.58 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID66176024
Molecular FormulaC11H12Cl3NO4
Molecular Weight328.58 g/mol
Exact Mass326.98
IUPAC NameN-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NCC(O)CO
InChIInChI=1S/C11H12Cl3NO4/c12-7-1-9(14)10(2-8(7)13)19-5-11(18)15-3-6(17)4-16/h1-2,6,16-17H,3-5H2,(H,15,18)
InChIKeyXRAZHWCCSFFPAK-UHFFFAOYSA-N
XLogP1.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.58
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 83030457
(2S)-2-hydroxy-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 107833784
N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120653226
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 103772604
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 66177734
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
N-[(E)-pent-3-enyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 115627905

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 66176024) is N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is XRAZHWCCSFFPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO4/c12-7-1-9(14)10(2-8(7)13)19-5-11(18)15-3-6(17)4-16/h1-2,6,16-17H,3-5H2,(H,15,18).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 328.58 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 66176024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).