2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide

C17H17F2NO3 — CID 51097366

IUPAC2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C17H17F2NO3/c1-11(23-13-7-8-14(18)15(19)9-13)17(22)20-10-16(21)12-5-3-2-4-6-12/h2-9,11,16,21H,10H2,1H3,(H,20,22)
InChIKeyAZTLNVSILIJKAX-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.58
Rot. Bonds6

About 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide

2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide (PubChem CID 51097366) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
PubChem CID51097366
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C17H17F2NO3/c1-11(23-13-7-8-14(18)15(19)9-13)17(22)20-10-16(21)12-5-3-2-4-6-12/h2-9,11,16,21H,10H2,1H3,(H,20,22)
InChIKeyAZTLNVSILIJKAX-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110908743
(2R)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416820
(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416822
(2S)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416821
(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578127
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830171
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124
N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 4909987
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide (CID 51097366) is 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide is CC(Oc1ccc(F)c(F)c1)C(=O)NCC(O)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide?
The InChIKey is AZTLNVSILIJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11(23-13-7-8-14(18)15(19)9-13)17(22)20-10-16(21)12-5-3-2-4-6-12/h2-9,11,16,21H,10H2,1H3,(H,20,22).
What are the key properties of 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide?
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide has a molecular weight of 321.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide is sourced from PubChem (CID 51097366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).