N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide

C17H17FN2O3 — CID 96527113

IUPACN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H17FN2O3/c1-11-12(8-10-23-11)16(21)19(2)15-7-9-20(17(15)22)14-6-4-3-5-13(14)18/h3-6,8,10,15H,7,9H2,1-2H3/t15-/m0/s1
InChIKeyNKONBOGZZZFSIW-HNNXBMFYSA-N
MW316.33 g/mol
LogP2.60
Rot. Bonds3

About N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide

N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 96527113) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
PubChem CID96527113
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H17FN2O3/c1-11-12(8-10-23-11)16(21)19(2)15-7-9-20(17(15)22)14-6-4-3-5-13(14)18/h3-6,8,10,15H,7,9H2,1-2H3/t15-/m0/s1
InChIKeyNKONBOGZZZFSIW-HNNXBMFYSA-N
XLogP2.60
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 99807453
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 97352449
(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
CID 124684318
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 119129476
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(2R,3S)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
CID 120932657
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119785248

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide (CID 96527113) is N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is NKONBOGZZZFSIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11-12(8-10-23-11)16(21)19(2)15-7-9-20(17(15)22)14-6-4-3-5-13(14)18/h3-6,8,10,15H,7,9H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide?
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 96527113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).