N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide

C18H18F3NO3 — CID 90534701

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3/c1-12-4-2-3-5-16(12)25-11-17(24)22-10-15(23)13-6-8-14(9-7-13)18(19,20)21/h2-9,15,23H,10-11H2,1H3,(H,22,24)
InChIKeyPKGLVIXCIVRGEJ-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.24
Rot. Bonds6

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 90534701) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID90534701
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3/c1-12-4-2-3-5-16(12)25-11-17(24)22-10-15(23)13-6-8-14(9-7-13)18(19,20)21/h2-9,15,23H,10-11H2,1H3,(H,22,24)
InChIKeyPKGLVIXCIVRGEJ-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
2-(2,3-dimethylphenoxy)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]acetamide
CID 40819511
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 7496094

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide (CID 90534701) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is PKGLVIXCIVRGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-12-4-2-3-5-16(12)25-11-17(24)22-10-15(23)13-6-8-14(9-7-13)18(19,20)21/h2-9,15,23H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 90534701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).