2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide

C13H17FN2O4 — CID 63366328

IUPAC2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C13H17FN2O4/c1-7(17)10-5-4-9(14)6-11(10)20-8(2)12(18)16-13(19)15-3/h4-8,17H,1-3H3,(H2,15,16,18,19)/t7-,8?/m1/s1
InChIKeyDDACTBDJSKGASF-GVHYBUMESA-N
MW284.29 g/mol
LogP1.10
Rot. Bonds4

About 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide

2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 63366328) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID63366328
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C13H17FN2O4/c1-7(17)10-5-4-9(14)6-11(10)20-8(2)12(18)16-13(19)15-3/h4-8,17H,1-3H3,(H2,15,16,18,19)/t7-,8?/m1/s1
InChIKeyDDACTBDJSKGASF-GVHYBUMESA-N
XLogP1.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82003429
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63366141
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107695387
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 78934187
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82000761
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
2-fluoro-6-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107013997
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78934249

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide (CID 63366328) is 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)O.
What is the InChIKey of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is DDACTBDJSKGASF-GVHYBUMESA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-7(17)10-5-4-9(14)6-11(10)20-8(2)12(18)16-13(19)15-3/h4-8,17H,1-3H3,(H2,15,16,18,19)/t7-,8?/m1/s1.
What are the key properties of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide?
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 284.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63366328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).