2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide

C17H16F3NO3 — CID 111539253

IUPAC2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)C(O)c2ccccc2)ccc1OCC(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-11-9-13(7-8-14(11)24-10-17(18,19)20)21-16(23)15(22)12-5-3-2-4-6-12/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyYRYBRLZMDJCOII-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.61
Rot. Bonds5

About 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide

2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide (PubChem CID 111539253) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide
PubChem CID111539253
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)C(O)c2ccccc2)ccc1OCC(F)(F)F
InChIInChI=1S/C17H16F3NO3/c1-11-9-13(7-8-14(11)24-10-17(18,19)20)21-16(23)15(22)12-5-3-2-4-6-12/h2-9,15,22H,10H2,1H3,(H,21,23)
InChIKeyYRYBRLZMDJCOII-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 120611044
3-methyl-2-[3-methyl-4-(2,2,2-trifluoroethoxy)anilino]butanoic acid
CID 149436683
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 95774170
1-(3-hydroxypropyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437785
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide
CID 119949715
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
1-(2-methylsulfinylethyl)-3-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 71992089
5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 136554877
3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119794829
N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538465
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
CID 119702544

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide (CID 111539253) is 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide is Cc1cc(NC(=O)C(O)c2ccccc2)ccc1OCC(F)(F)F.
What is the InChIKey of 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide?
The InChIKey is YRYBRLZMDJCOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-11-9-13(7-8-14(11)24-10-17(18,19)20)21-16(23)15(22)12-5-3-2-4-6-12/h2-9,15,22H,10H2,1H3,(H,21,23).
What are the key properties of 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide?
2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide has a molecular weight of 339.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-2-phenylacetamide is sourced from PubChem (CID 111539253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).