N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide

C17H16F3NO3 — CID 94816564

IUPACN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-24-12-8-6-11(7-9-12)16(23)21-10-15(22)13-4-2-3-5-14(13)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyZFPGSYQFGTTWDM-HNNXBMFYSA-N
MW339.31 g/mol
LogP3.18
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide (PubChem CID 94816564) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
PubChem CID94816564
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-24-12-8-6-11(7-9-12)16(23)21-10-15(22)13-4-2-3-5-14(13)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyZFPGSYQFGTTWDM-HNNXBMFYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenoxy]benzamide
CID 56565950
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
CID 51094275
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60591540
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide (CID 94816564) is N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide?
The InChIKey is ZFPGSYQFGTTWDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-24-12-8-6-11(7-9-12)16(23)21-10-15(22)13-4-2-3-5-14(13)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide?
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide has a molecular weight of 339.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 94816564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).