N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide

C11H12Cl3NO3 — CID 83030457

IUPACN-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@H](O)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO3/c1-6(16)4-15-11(17)5-18-10-3-8(13)7(12)2-9(10)14/h2-3,6,16H,4-5H2,1H3,(H,15,17)/t6-/m0/s1
InChIKeyGZHHNIBQUVEYOF-LURJTMIESA-N
MW312.58 g/mol
LogP2.52
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 83030457) has the molecular formula C11H12Cl3NO3 and a molecular weight of 312.58 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID83030457
Molecular FormulaC11H12Cl3NO3
Molecular Weight312.58 g/mol
Exact Mass310.99
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@H](O)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO3/c1-6(16)4-15-11(17)5-18-10-3-8(13)7(12)2-9(10)14/h2-3,6,16H,4-5H2,1H3,(H,15,17)/t6-/m0/s1
InChIKeyGZHHNIBQUVEYOF-LURJTMIESA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
(2S)-2-hydroxy-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 107833784
N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 66176024
N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120653226
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
3-hydroxy-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]butanoic acid
CID 43238726
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685147
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 83030457) is N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide is C[C@H](O)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is GZHHNIBQUVEYOF-LURJTMIESA-N. The full InChI is InChI=1S/C11H12Cl3NO3/c1-6(16)4-15-11(17)5-18-10-3-8(13)7(12)2-9(10)14/h2-3,6,16H,4-5H2,1H3,(H,15,17)/t6-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 312.58 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 83030457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).