N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide

C17H17F2NO3 — CID 97237658

IUPACN-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide
SMILESC[C@@H](CNC(=O)COc1ccccc1O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3/c1-11(13-7-6-12(18)8-14(13)19)9-20-17(22)10-23-16-5-3-2-4-15(16)21/h2-8,11,21H,9-10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyUJJCUGWSXRRMJE-NSHDSACASA-N
MW321.32 g/mol
LogP2.97
Rot. Bonds6

About N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide

N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide (PubChem CID 97237658) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide
PubChem CID97237658
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide
SMILESC[C@@H](CNC(=O)COc1ccccc1O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3/c1-11(13-7-6-12(18)8-14(13)19)9-20-17(22)10-23-16-5-3-2-4-15(16)21/h2-8,11,21H,9-10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyUJJCUGWSXRRMJE-NSHDSACASA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 17425695
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7503595
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide (CID 97237658) is N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide is C[C@@H](CNC(=O)COc1ccccc1O)c1ccc(F)cc1F.
What is the InChIKey of N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is UJJCUGWSXRRMJE-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11(13-7-6-12(18)8-14(13)19)9-20-17(22)10-23-16-5-3-2-4-15(16)21/h2-8,11,21H,9-10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide?
N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 321.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 97237658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).