N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

C20H24FNO3 — CID 95866889

IUPACN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC[C@@H](O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H24FNO3/c1-20(2,25)11-10-14-6-8-15(9-7-14)19(24)22-13-18(23)16-4-3-5-17(21)12-16/h3-9,12,18,23,25H,10-11,13H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyUZAMDGXLHYUDCV-GOSISDBHSA-N
MW345.41 g/mol
LogP2.99
Rot. Bonds7

About N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 95866889) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID95866889
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC[C@@H](O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H24FNO3/c1-20(2,25)11-10-14-6-8-15(9-7-14)19(24)22-13-18(23)16-4-3-5-17(21)12-16/h3-9,12,18,23,25H,10-11,13H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyUZAMDGXLHYUDCV-GOSISDBHSA-N
XLogP2.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]benzamide
CID 95897248
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 95876220
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95862889
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 119328600
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
CID 167863503

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (CID 95866889) is N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is CC(C)(O)CCc1ccc(C(=O)NC[C@@H](O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is UZAMDGXLHYUDCV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-20(2,25)11-10-14-6-8-15(9-7-14)19(24)22-13-18(23)16-4-3-5-17(21)12-16/h3-9,12,18,23,25H,10-11,13H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 345.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 95866889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).