N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide

C17H18FNO3 — CID 110884614

IUPACN-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(C)O)c2)cc1F
InChIInChI=1S/C17H18FNO3/c1-11-6-7-14(9-16(11)18)19-17(21)10-22-15-5-3-4-13(8-15)12(2)20/h3-9,12,20H,10H2,1-2H3,(H,19,21)
InChIKeyVHBYSSOXPIJWCD-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.20
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide

N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide (PubChem CID 110884614) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
PubChem CID110884614
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(C)O)c2)cc1F
InChIInChI=1S/C17H18FNO3/c1-11-6-7-14(9-16(11)18)19-17(21)10-22-15-5-3-4-13(8-15)12(2)20/h3-9,12,20H,10H2,1-2H3,(H,19,21)
InChIKeyVHBYSSOXPIJWCD-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 7314126
N-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107168696
methyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]benzoate
CID 7667243
2-(2,6-dimethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7612589
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 63367424
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide (CID 110884614) is N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2cccc(C(C)O)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
The InChIKey is VHBYSSOXPIJWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11-6-7-14(9-16(11)18)19-17(21)10-22-15-5-3-4-13(8-15)12(2)20/h3-9,12,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide has a molecular weight of 303.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide is sourced from PubChem (CID 110884614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).