N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide

C11H8Cl3NO2 — CID 79502063

IUPACN-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
SMILESC#CCNC(=O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3NO2/c1-2-3-15-10(16)6-17-11-8(13)4-7(12)5-9(11)14/h1,4-5H,3,6H2,(H,15,16)
InChIKeyWLFRBFNCEZXFBR-UHFFFAOYSA-N
MW292.55 g/mol
LogP2.78
Rot. Bonds4

About N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide

N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 79502063) has the molecular formula C11H8Cl3NO2 and a molecular weight of 292.55 g/mol. Its IUPAC name is N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID79502063
Molecular FormulaC11H8Cl3NO2
Molecular Weight292.55 g/mol
Exact Mass290.96
IUPAC NameN-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
SMILESC#CCNC(=O)COc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3NO2/c1-2-3-15-10(16)6-17-11-8(13)4-7(12)5-9(11)14/h1,4-5H,3,6H2,(H,15,16)
InChIKeyWLFRBFNCEZXFBR-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107738952
3,5-dichloro-2-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 43516070
2-(4-bromo-2,5-dichlorophenoxy)-N-prop-2-ynylacetamide
CID 106544762
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60908054
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115954513
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-ynylacetamide
CID 60879263
N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide
CID 35292285
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylacetamide
CID 54931313
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 79891340

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide (CID 79502063) is N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide is C#CCNC(=O)COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is WLFRBFNCEZXFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO2/c1-2-3-15-10(16)6-17-11-8(13)4-7(12)5-9(11)14/h1,4-5H,3,6H2,(H,15,16).
What are the key properties of N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide?
N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 292.55 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 79502063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).