2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C11H12F3NO3 — CID 143478506

IUPAC2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C(O)CO
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-7(2-4-8)5-15-10(18)9(17)6-16/h1-4,9,16-17H,5-6H2,(H,15,18)
InChIKeyYTLRXYCUWLNRBY-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.67
Rot. Bonds4

About 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 143478506) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID143478506
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C(O)CO
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-7(2-4-8)5-15-10(18)9(17)6-16/h1-4,9,16-17H,5-6H2,(H,15,18)
InChIKeyYTLRXYCUWLNRBY-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110894292
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 65315346
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 6723024

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 143478506) is 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is O=C(NCc1ccc(C(F)(F)F)cc1)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is YTLRXYCUWLNRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-7(2-4-8)5-15-10(18)9(17)6-16/h1-4,9,16-17H,5-6H2,(H,15,18).
What are the key properties of 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 263.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 143478506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).