N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide

C18H20FNO3 — CID 111110931

IUPACN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-13-4-2-3-5-14(13)10-18(22)20-11-16(21)12-23-17-8-6-15(19)7-9-17/h2-9,16,21H,10-12H2,1H3,(H,20,22)
InChIKeyZSSQPLGUUMUAHA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.23
Rot. Bonds7

About N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide (PubChem CID 111110931) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
PubChem CID111110931
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-13-4-2-3-5-14(13)10-18(22)20-11-16(21)12-23-17-8-6-15(19)7-9-17/h2-9,16,21H,10-12H2,1H3,(H,20,22)
InChIKeyZSSQPLGUUMUAHA-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylanilino)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111565418
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
CID 111102907
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 110921959
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111110968
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide (CID 111110931) is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide?
The InChIKey is ZSSQPLGUUMUAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-13-4-2-3-5-14(13)10-18(22)20-11-16(21)12-23-17-8-6-15(19)7-9-17/h2-9,16,21H,10-12H2,1H3,(H,20,22).
What are the key properties of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide?
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 111110931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).