2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

C13H15Cl3N2O2 — CID 115631959

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESC=CCN(CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O2/c1-2-3-18(4-5-19)8-12(20)17-13-10(15)6-9(14)7-11(13)16/h2,6-7,19H,1,3-5,8H2,(H,17,20)
InChIKeyYSWJGAQVDOGGAT-UHFFFAOYSA-N
MW337.63 g/mol
LogP3.07
Rot. Bonds7

About 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide

2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 115631959) has the molecular formula C13H15Cl3N2O2 and a molecular weight of 337.63 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID115631959
Molecular FormulaC13H15Cl3N2O2
Molecular Weight337.63 g/mol
Exact Mass336.02
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
SMILESC=CCN(CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3N2O2/c1-2-3-18(4-5-19)8-12(20)17-13-10(15)6-9(14)7-11(13)16/h2,6-7,19H,1,3-5,8H2,(H,17,20)
InChIKeyYSWJGAQVDOGGAT-UHFFFAOYSA-N
XLogP3.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423143
N-(2-bromo-4,6-difluorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111519543
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423108
2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
CID 87018436
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112534
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496595
N-(2-acetylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 115631892
N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423199
N'-acetyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetohydrazide
CID 115747968

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide (CID 115631959) is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is C=CCN(CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is YSWJGAQVDOGGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O2/c1-2-3-18(4-5-19)8-12(20)17-13-10(15)6-9(14)7-11(13)16/h2,6-7,19H,1,3-5,8H2,(H,17,20).
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide?
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 337.63 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 115631959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).