N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

C19H20F3NO2 — CID 126588886

IUPACN-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1COc1ccc(CC)cc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-3-13-9-10-17(15(11-13)19(20,21)22)25-12-14-7-5-6-8-16(14)23-18(24)4-2/h5-11H,3-4,12H2,1-2H3,(H,23,24)
InChIKeyUJNGRNQSGLQGDT-UHFFFAOYSA-N
MW351.37 g/mol
LogP5.20
Rot. Bonds6

About N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide (PubChem CID 126588886) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
PubChem CID126588886
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1COc1ccc(CC)cc1C(F)(F)F
InChIInChI=1S/C19H20F3NO2/c1-3-13-9-10-17(15(11-13)19(20,21)22)25-12-14-7-5-6-8-16(14)23-18(24)4-2/h5-11H,3-4,12H2,1-2H3,(H,23,24)
InChIKeyUJNGRNQSGLQGDT-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-(trifluoromethyl)-
CID 3072811
6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722
6-(5-Fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10384345
4-[(4-methoxyphenoxy)methyl]quinolin-2(1H)-one
CID 1508968
N-(4-methylphenyl)-3-phenoxypropanamide
CID 725622
N-(2,4-dimethylphenyl)-3-phenoxypropanamide
CID 725623
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-ethylphenyl)-3-phenoxypropanamide
CID 725624
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide
CID 808409

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The IUPAC name of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide (CID 126588886) is N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide.
What is the SMILES notation for N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The canonical SMILES for N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide is CCC(=O)Nc1ccccc1COc1ccc(CC)cc1C(F)(F)F.
What is the InChIKey of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
The InChIKey is UJNGRNQSGLQGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-3-13-9-10-17(15(11-13)19(20,21)22)25-12-14-7-5-6-8-16(14)23-18(24)4-2/h5-11H,3-4,12H2,1-2H3,(H,23,24).
What are the key properties of N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide?
N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide has a molecular weight of 351.37 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide is sourced from PubChem (CID 126588886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).