3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide

C17H16F3NO3 — CID 110014991

IUPAC3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C17H16F3NO3/c1-10-5-6-12(8-14(10)22)16(24)21-9-15(23)11-3-2-4-13(7-11)17(18,19)20/h2-8,15,22-23H,9H2,1H3,(H,21,24)
InChIKeyJIQIJTOKFJMCQA-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.18
Rot. Bonds4

About 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide

3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide (PubChem CID 110014991) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
PubChem CID110014991
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C17H16F3NO3/c1-10-5-6-12(8-14(10)22)16(24)21-9-15(23)11-3-2-4-13(7-11)17(18,19)20/h2-8,15,22-23H,9H2,1H3,(H,21,24)
InChIKeyJIQIJTOKFJMCQA-UHFFFAOYSA-N
XLogP3.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide
CID 134106589
3-hydroxy-N-(2-hydroxy-3,3-dimethylbutyl)-4-methylbenzamide
CID 110016294
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97059016
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
CID 110014999
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 8961150
5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide (CID 110014991) is 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)c2cccc(C(F)(F)F)c2)cc1O.
What is the InChIKey of 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide?
The InChIKey is JIQIJTOKFJMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-10-5-6-12(8-14(10)22)16(24)21-9-15(23)11-3-2-4-13(7-11)17(18,19)20/h2-8,15,22-23H,9H2,1H3,(H,21,24).
What are the key properties of 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide?
3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide has a molecular weight of 339.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 110014991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).