2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide

C17H16F3NO3 — CID 110004183

IUPAC2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide
SMILESCc1ccc(CC(=O)NC(CO)c2cc(F)c(F)c(F)c2)cc1O
InChIInChI=1S/C17H16F3NO3/c1-9-2-3-10(4-15(9)23)5-16(24)21-14(8-22)11-6-12(18)17(20)13(19)7-11/h2-4,6-7,14,22-23H,5,8H2,1H3,(H,21,24)
InChIKeyVTIIPPIVWUEKIW-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.51
Rot. Bonds5

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

2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide (PubChem CID 110004183) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide
PubChem CID110004183
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide
SMILESCc1ccc(CC(=O)NC(CO)c2cc(F)c(F)c(F)c2)cc1O
InChIInChI=1S/C17H16F3NO3/c1-9-2-3-10(4-15(9)23)5-16(24)21-14(8-22)11-6-12(18)17(20)13(19)7-11/h2-4,6-7,14,22-23H,5,8H2,1H3,(H,21,24)
InChIKeyVTIIPPIVWUEKIW-UHFFFAOYSA-N
XLogP2.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-(3-hydroxy-4-methylphenyl)acetamide
CID 75501684
1-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-3-pentan-3-ylurea
CID 109389622
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
2-[[[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]amino]methyl]phenol
CID 109380236
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]urea
CID 109389958
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 110026135
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide (CID 110004183) is 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide is Cc1ccc(CC(=O)NC(CO)c2cc(F)c(F)c(F)c2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide?
The InChIKey is VTIIPPIVWUEKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-9-2-3-10(4-15(9)23)5-16(24)21-14(8-22)11-6-12(18)17(20)13(19)7-11/h2-4,6-7,14,22-23H,5,8H2,1H3,(H,21,24).
What are the key properties of 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide?
2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide has a molecular weight of 339.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenyl)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]acetamide is sourced from PubChem (CID 110004183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).