N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide

C18H20FNO3 — CID 51089018

IUPACN-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(O)COc2cccc(F)c2)c1C
InChIInChI=1S/C18H20FNO3/c1-12-5-3-8-17(13(12)2)18(22)20-10-15(21)11-23-16-7-4-6-14(19)9-16/h3-9,15,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyLWQJVVJPLJYUBI-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.61
Rot. Bonds6

About N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide

N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide (PubChem CID 51089018) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide
PubChem CID51089018
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(O)COc2cccc(F)c2)c1C
InChIInChI=1S/C18H20FNO3/c1-12-5-3-8-17(13(12)2)18(22)20-10-15(21)11-23-16-7-4-6-14(19)9-16/h3-9,15,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyLWQJVVJPLJYUBI-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2-methyl-3-nitrobenzamide
CID 94677634
N-[(2R)-3-(3-fluorophenoxy)-2-hydroxypropyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 94654315
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94029464
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
CID 47932718

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide (CID 51089018) is N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCC(O)COc2cccc(F)c2)c1C.
What is the InChIKey of N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide?
The InChIKey is LWQJVVJPLJYUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-5-3-8-17(13(12)2)18(22)20-10-15(21)11-23-16-7-4-6-14(19)9-16/h3-9,15,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide?
N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide has a molecular weight of 317.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 51089018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).