N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide

C13H15F4NO4 — CID 171883930

IUPACN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4NO4/c1-7(19)18-5-4-10(20)12(21)8-2-3-11(9(14)6-8)22-13(15,16)17/h2-3,6,10,12,20-21H,4-5H2,1H3,(H,18,19)
InChIKeyWWUPSGKCVGQYCM-UHFFFAOYSA-N
MW325.26 g/mol
LogP1.64
Rot. Bonds6

About N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide

N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide (PubChem CID 171883930) has the molecular formula C13H15F4NO4 and a molecular weight of 325.26 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide
PubChem CID171883930
Molecular FormulaC13H15F4NO4
Molecular Weight325.26 g/mol
Exact Mass325.09
IUPAC NameN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4NO4/c1-7(19)18-5-4-10(20)12(21)8-2-3-11(9(14)6-8)22-13(15,16)17/h2-3,6,10,12,20-21H,4-5H2,1H3,(H,18,19)
InChIKeyWWUPSGKCVGQYCM-UHFFFAOYSA-N
XLogP1.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887514
N-[4-[4-bromo-2-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884212
tert-butyl N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171885371
N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882533
3-azido-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170826902
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[4-[4-chloro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882949
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 171263562
tert-butyl N-[3,4-dihydroxy-4-[4-(trifluoromethoxy)phenyl]butyl]carbamate
CID 171885432
N-[3,4-dihydroxy-4-[3-(trifluoromethylsulfanyl)phenyl]butyl]acetamide
CID 171883576

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide (CID 171883930) is N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide?
The InChIKey is WWUPSGKCVGQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO4/c1-7(19)18-5-4-10(20)12(21)8-2-3-11(9(14)6-8)22-13(15,16)17/h2-3,6,10,12,20-21H,4-5H2,1H3,(H,18,19).
What are the key properties of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide?
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide has a molecular weight of 325.26 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).