3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C19H20F3NO3 — CID 167893759

IUPAC3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ccc(CO)cc1)NC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c20-19(21,22)16-8-6-15(7-9-16)17(12-25)23-18(26)10-5-13-1-3-14(11-24)4-2-13/h1-4,6-9,17,24-25H,5,10-12H2,(H,23,26)
InChIKeyGQVQUXDSNDWORE-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.98
Rot. Bonds7

About 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide

3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 167893759) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID167893759
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1ccc(CO)cc1)NC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c20-19(21,22)16-8-6-15(7-9-16)17(12-25)23-18(26)10-5-13-1-3-14(11-24)4-2-13/h1-4,6-9,17,24-25H,5,10-12H2,(H,23,26)
InChIKeyGQVQUXDSNDWORE-UHFFFAOYSA-N
XLogP2.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 99951707
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
CID 59689158
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-thiophen-3-ylpropanamide
CID 110004275
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol
CID 156722043
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 80751533
N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461113

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 167893759) is 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide is O=C(CCc1ccc(CO)cc1)NC(CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is GQVQUXDSNDWORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c20-19(21,22)16-8-6-15(7-9-16)17(12-25)23-18(26)10-5-13-1-3-14(11-24)4-2-13/h1-4,6-9,17,24-25H,5,10-12H2,(H,23,26).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 367.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 167893759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).