2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide

C12H14Cl2N2O2 — CID 6473574

IUPAC2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
SMILESC=CCNCc1cc(Cl)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C12H14Cl2N2O2/c1-2-3-16-6-8-4-9(13)5-10(14)12(8)18-7-11(15)17/h2,4-5,16H,1,3,6-7H2,(H2,15,17)
InChIKeyZQODAPXRSUOZPP-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.13
Rot. Bonds7

About 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide

2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide (PubChem CID 6473574) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
PubChem CID6473574
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
SMILESC=CCNCc1cc(Cl)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C12H14Cl2N2O2/c1-2-3-16-6-8-4-9(13)5-10(14)12(8)18-7-11(15)17/h2,4-5,16H,1,3,6-7H2,(H2,15,17)
InChIKeyZQODAPXRSUOZPP-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
CID 6473566
2-(2,4-dichloro-6-prop-2-enylphenoxy)acetohydrazide
CID 54849931
2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6473357
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
3-[[2-(2-amino-2-oxoethoxy)-3,5-dichlorophenyl]methylamino]-2-methylbenzoic acid
CID 17058253
N-[2-(2,4,6-trichlorophenoxy)ethyl]prop-2-en-1-amine
CID 21286525
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
N-[(3,5-dichloro-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006108
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
3-[2,4-dichloro-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropanamide
CID 63056123

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide (CID 6473574) is 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide is C=CCNCc1cc(Cl)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide?
The InChIKey is ZQODAPXRSUOZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-3-16-6-8-4-9(13)5-10(14)12(8)18-7-11(15)17/h2,4-5,16H,1,3,6-7H2,(H2,15,17).
What are the key properties of 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide?
2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide has a molecular weight of 289.16 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 6473574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).