3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide

C17H17F2NO3 — CID 111477313

IUPAC3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H17F2NO3/c1-11-6-12(8-14(19)7-11)17(22)20-9-15(21)10-23-16-4-2-13(18)3-5-16/h2-8,15,21H,9-10H2,1H3,(H,20,22)
InChIKeyJXWYLFRZPMVIGA-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.44
Rot. Bonds6

About 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide

3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide (PubChem CID 111477313) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
PubChem CID111477313
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H17F2NO3/c1-11-6-12(8-14(19)7-11)17(22)20-9-15(21)10-23-16-4-2-13(18)3-5-16/h2-8,15,21H,9-10H2,1H3,(H,20,22)
InChIKeyJXWYLFRZPMVIGA-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 94819249
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 56784686

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide (CID 111477313) is 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide is Cc1cc(F)cc(C(=O)NCC(O)COc2ccc(F)cc2)c1.
What is the InChIKey of 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide?
The InChIKey is JXWYLFRZPMVIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11-6-12(8-14(19)7-11)17(22)20-9-15(21)10-23-16-4-2-13(18)3-5-16/h2-8,15,21H,9-10H2,1H3,(H,20,22).
What are the key properties of 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide?
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide has a molecular weight of 321.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide is sourced from PubChem (CID 111477313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).