N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide

C16H16FNO3 — CID 78938578

IUPACN-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc([C@H](C)O)cc1F
InChIInChI=1S/C16H16FNO3/c1-10(19)12-7-8-15(13(17)9-12)21-16-6-4-3-5-14(16)18-11(2)20/h3-10,19H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyCVFUCVCLQMALRG-JTQLQIEISA-N
MW289.31 g/mol
LogP3.63
Rot. Bonds4

About N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide

N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide (PubChem CID 78938578) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide
PubChem CID78938578
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc([C@H](C)O)cc1F
InChIInChI=1S/C16H16FNO3/c1-10(19)12-7-8-15(13(17)9-12)21-16-6-4-3-5-14(16)18-11(2)20/h3-10,19H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyCVFUCVCLQMALRG-JTQLQIEISA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
N-[2-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]acetamide
CID 62913100
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372522
N-[2-(2-carbamothioyl-4-fluorophenoxy)phenyl]acetamide
CID 63673578
(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78941481
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide (CID 78938578) is N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc([C@H](C)O)cc1F.
What is the InChIKey of N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide?
The InChIKey is CVFUCVCLQMALRG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10(19)12-7-8-15(13(17)9-12)21-16-6-4-3-5-14(16)18-11(2)20/h3-10,19H,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide?
N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 78938578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).