N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide

C20H18ClF4NO2 — CID 46191524

IUPACN-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
SMILESCCN(C(=O)CO/C(F)=C(/c1ccc(C)cc1)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF4NO2/c1-3-26(16-10-8-15(21)9-11-16)17(27)12-28-19(22)18(20(23,24)25)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3/b19-18-
InChIKeyQHURNDWKHGJKOR-HNENSFHCSA-N
MW415.81 g/mol
LogP5.92
Rot. Bonds6

About N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide

N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide (PubChem CID 46191524) has the molecular formula C20H18ClF4NO2 and a molecular weight of 415.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
PubChem CID46191524
Molecular FormulaC20H18ClF4NO2
Molecular Weight415.81 g/mol
Exact Mass415.10
IUPAC NameN-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
SMILESCCN(C(=O)CO/C(F)=C(/c1ccc(C)cc1)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClF4NO2/c1-3-26(16-10-8-15(21)9-11-16)17(27)12-28-19(22)18(20(23,24)25)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3/b19-18-
InChIKeyQHURNDWKHGJKOR-HNENSFHCSA-N
XLogP5.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.81
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-propyl-2-[(Z)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide
CID 45113578
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
CID 79479435
ethyl (E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoate
CID 11277437
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
N-ethyl-N-(4-methylphenyl)-2-propoxyacetamide
CID 113227387
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878567
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750831
ethyl (E)-4,4,4-trifluoro-3-(4-methylphenyl)but-2-enoate
CID 12063996
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7489475
5-(4-chloro-N-ethylanilino)-5-oxopentanoic acid
CID 59823928

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide (CID 46191524) is N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide is CCN(C(=O)CO/C(F)=C(/c1ccc(C)cc1)C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
The InChIKey is QHURNDWKHGJKOR-HNENSFHCSA-N. The full InChI is InChI=1S/C20H18ClF4NO2/c1-3-26(16-10-8-15(21)9-11-16)17(27)12-28-19(22)18(20(23,24)25)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3/b19-18-.
What are the key properties of N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide?
N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide has a molecular weight of 415.81 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-ethyl-2-[(E)-1,3,3,3-tetrafluoro-2-(4-methylphenyl)prop-1-enoxy]acetamide is sourced from PubChem (CID 46191524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).