N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide

C12H13F4NO3 — CID 170830578

IUPACN-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO3/c1-6(18)17-5-10(19)11(20)7-2-3-9(13)8(4-7)12(14,15)16/h2-4,10-11,19-20H,5H2,1H3,(H,17,18)
InChIKeyPKCWFXIUTRGUML-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.37
Rot. Bonds4

About N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide

N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170830578) has the molecular formula C12H13F4NO3 and a molecular weight of 295.23 g/mol. Its IUPAC name is N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
PubChem CID170830578
Molecular FormulaC12H13F4NO3
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC NameN-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO3/c1-6(18)17-5-10(19)11(20)7-2-3-9(13)8(4-7)12(14,15)16/h2-4,10-11,19-20H,5H2,1H3,(H,17,18)
InChIKeyPKCWFXIUTRGUML-UHFFFAOYSA-N
XLogP1.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
ethyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171897902
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[3-(3,5-difluoro-4-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830411
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830543

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide (CID 170830578) is N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is PKCWFXIUTRGUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO3/c1-6(18)17-5-10(19)11(20)7-2-3-9(13)8(4-7)12(14,15)16/h2-4,10-11,19-20H,5H2,1H3,(H,17,18).
What are the key properties of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 295.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).