[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C16H19ClFNO3 — CID 55313966

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFNO3/c1-4-19(9-11(2)3)15(20)10-22-16(21)8-12-13(17)6-5-7-14(12)18/h5-7H,2,4,8-10H2,1,3H3
InChIKeyAHYNLFNEBBNQNH-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.99
Rot. Bonds7

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 55313966) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID55313966
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFNO3/c1-4-19(9-11(2)3)15(20)10-22-16(21)8-12-13(17)6-5-7-14(12)18/h5-7H,2,4,8-10H2,1,3H3
InChIKeyAHYNLFNEBBNQNH-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718388
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 55316083
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 55315903
1-(2-chloro-6-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473539
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
CID 55319893
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55314057
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 55313966) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is C=C(C)CN(CC)C(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is AHYNLFNEBBNQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c1-4-19(9-11(2)3)15(20)10-22-16(21)8-12-13(17)6-5-7-14(12)18/h5-7H,2,4,8-10H2,1,3H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 327.78 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 55313966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).