N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide

C17H16F3NO3 — CID 110026135

IUPACN-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC(CO)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO3/c1-24-16(10-5-3-2-4-6-10)17(23)21-14(9-22)11-7-12(18)15(20)13(19)8-11/h2-8,14,16,22H,9H2,1H3,(H,21,23)
InChIKeyXKENNLDUBUUIDV-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.64
Rot. Bonds6

About N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide

N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide (PubChem CID 110026135) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
PubChem CID110026135
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC(CO)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO3/c1-24-16(10-5-3-2-4-6-10)17(23)21-14(9-22)11-7-12(18)15(20)13(19)8-11/h2-8,14,16,22H,9H2,1H3,(H,21,23)
InChIKeyXKENNLDUBUUIDV-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2S)-2-methoxy-N-[(1S)-1-naphthalen-2-ylpropyl]-2-phenylacetamide
CID 70094116
N-(2,6-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2955946
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide
CID 106114237
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide (CID 110026135) is N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NC(CO)c1cc(F)c(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
The InChIKey is XKENNLDUBUUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-24-16(10-5-3-2-4-6-10)17(23)21-14(9-22)11-7-12(18)15(20)13(19)8-11/h2-8,14,16,22H,9H2,1H3,(H,21,23).
What are the key properties of N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide?
N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide has a molecular weight of 339.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 110026135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).