2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide

C14H18FN3O3 — CID 120989674

IUPAC2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C14H18FN3O3/c1-21-8-11(16)14(20)17-9-4-5-12(10(15)7-9)18-6-2-3-13(18)19/h4-5,7,11H,2-3,6,8,16H2,1H3,(H,17,20)
InChIKeyZSYRPTNDGHTOJE-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.86
Rot. Bonds5

About 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide

2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide (PubChem CID 120989674) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
PubChem CID120989674
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C14H18FN3O3/c1-21-8-11(16)14(20)17-9-4-5-12(10(15)7-9)18-6-2-3-13(18)19/h4-5,7,11H,2-3,6,8,16H2,1H3,(H,17,20)
InChIKeyZSYRPTNDGHTOJE-UHFFFAOYSA-N
XLogP0.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide
CID 86939994
2-cyclopentyloxy-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 86939779
3-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122080094
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666903
2-(benzylcarbamoylamino)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylbutanamide
CID 86940023
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
2-amino-3-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 120994000

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide (CID 120989674) is 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1.
What is the InChIKey of 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide?
The InChIKey is ZSYRPTNDGHTOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-21-8-11(16)14(20)17-9-4-5-12(10(15)7-9)18-6-2-3-13(18)19/h4-5,7,11H,2-3,6,8,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide?
2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide has a molecular weight of 295.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 120989674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).