2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide

C12H14FN3O2 — CID 119324605

IUPAC2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESNCC(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C12H14FN3O2/c13-8-3-1-2-4-10(8)16-6-5-9(12(16)18)15-11(17)7-14/h1-4,9H,5-7,14H2,(H,15,17)
InChIKeyPUWKTCBIAJPEKW-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.01
Rot. Bonds3

About 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide

2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 119324605) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID119324605
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESNCC(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C12H14FN3O2/c13-8-3-1-2-4-10(8)16-6-5-9(12(16)18)15-11(17)7-14/h1-4,9H,5-7,14H2,(H,15,17)
InChIKeyPUWKTCBIAJPEKW-UHFFFAOYSA-N
XLogP0.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793260
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-4-oxobutanoate
CID 124589266
1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
CID 95979903
(2S)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 96526165
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526243

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide (CID 119324605) is 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide is NCC(=O)NC1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is PUWKTCBIAJPEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-8-3-1-2-4-10(8)16-6-5-9(12(16)18)15-11(17)7-14/h1-4,9H,5-7,14H2,(H,15,17).
What are the key properties of 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 251.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 119324605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).