N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide

C17H16F3NO2 — CID 95368142

IUPACN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11-4-2-3-5-14(11)16(23)21-10-15(22)12-6-8-13(9-7-12)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyGNYUTZMKHPUSTC-OAHLLOKOSA-N
MW323.31 g/mol
LogP3.48
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide

N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide (PubChem CID 95368142) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
PubChem CID95368142
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2/c1-11-4-2-3-5-14(11)16(23)21-10-15(22)12-6-8-13(9-7-12)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyGNYUTZMKHPUSTC-OAHLLOKOSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-nitrobenzamide
CID 90534706
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 95379231
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 90534701
N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide
CID 122244278
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide (CID 95368142) is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide?
The InChIKey is GNYUTZMKHPUSTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11-4-2-3-5-14(11)16(23)21-10-15(22)12-6-8-13(9-7-12)17(18,19)20/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide?
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide has a molecular weight of 323.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 95368142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).