(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

C15H19FN2O3 — CID 51729397

IUPAC(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C15H19FN2O3/c1-11(21-13-6-4-5-12(16)9-13)15(20)17-10-14(19)18-7-2-3-8-18/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyKPEUYKDQULZWNQ-NSHDSACASA-N
MW294.33 g/mol
LogP1.33
Rot. Bonds5

About (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 51729397) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID51729397
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C15H19FN2O3/c1-11(21-13-6-4-5-12(16)9-13)15(20)17-10-14(19)18-7-2-3-8-18/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,17,20)/t11-/m0/s1
InChIKeyKPEUYKDQULZWNQ-NSHDSACASA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47041388
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109475841
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
CID 86990889
(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
CID 100617899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide (CID 51729397) is (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is C[C@H](Oc1cccc(F)c1)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is KPEUYKDQULZWNQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-11(21-13-6-4-5-12(16)9-13)15(20)17-10-14(19)18-7-2-3-8-18/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide?
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 294.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 51729397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).