2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide

C19H20F3NO3 — CID 102223986

IUPAC2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCc1ccc(C(O)(C(=O)NCc2ccccc2OC)C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c1-3-13-8-10-15(11-9-13)18(25,19(20,21)22)17(24)23-12-14-6-4-5-7-16(14)26-2/h4-11,25H,3,12H2,1-2H3,(H,23,24)
InChIKeyOXLIYWCFEPIJFA-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.32
Rot. Bonds6

About 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide

2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 102223986) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID102223986
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCc1ccc(C(O)(C(=O)NCc2ccccc2OC)C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c1-3-13-8-10-15(11-9-13)18(25,19(20,21)22)17(24)23-12-14-6-4-5-7-16(14)26-2/h4-11,25H,3,12H2,1-2H3,(H,23,24)
InChIKeyOXLIYWCFEPIJFA-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 141336561
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62834293
2-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylbutanamide
CID 122144681
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 8862608
2-(N-acetyl-4-ethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113169240
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide (CID 102223986) is 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide is CCc1ccc(C(O)(C(=O)NCc2ccccc2OC)C(F)(F)F)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is OXLIYWCFEPIJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-3-13-8-10-15(11-9-13)18(25,19(20,21)22)17(24)23-12-14-6-4-5-7-16(14)26-2/h4-11,25H,3,12H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide?
2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 367.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 102223986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).