N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C13H15F4NO2 — CID 78858686

IUPACN-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H15F4NO2/c1-3-18(8-13(15,16)17)12(19)7-9-4-5-11(20-2)10(14)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyIEMSANHWZWJCCD-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.79
Rot. Bonds5

About N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78858686) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78858686
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H15F4NO2/c1-3-18(8-13(15,16)17)12(19)7-9-4-5-11(20-2)10(14)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyIEMSANHWZWJCCD-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86859490
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
CID 116707093
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78858686) is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IEMSANHWZWJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-3-18(8-13(15,16)17)12(19)7-9-4-5-11(20-2)10(14)6-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78858686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).