1-ethyl-4-fluoropyrrolidine-2-carboxamide

C7H13FN2O — CID 77234857

IUPAC1-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCN1CC(F)CC1C(N)=O
InChIInChI=1S/C7H13FN2O/c1-2-10-4-5(8)3-6(10)7(9)11/h5-6H,2-4H2,1H3,(H2,9,11)
InChIKeyZPLRHYODVUIIJV-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.10
Rot. Bonds2

About 1-ethyl-4-fluoropyrrolidine-2-carboxamide

1-ethyl-4-fluoropyrrolidine-2-carboxamide (PubChem CID 77234857) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-ethyl-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-fluoropyrrolidine-2-carboxamide
PubChem CID77234857
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name1-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCN1CC(F)CC1C(N)=O
InChIInChI=1S/C7H13FN2O/c1-2-10-4-5(8)3-6(10)7(9)11/h5-6H,2-4H2,1H3,(H2,9,11)
InChIKeyZPLRHYODVUIIJV-UHFFFAOYSA-N
XLogP-0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4-fluoropyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Prolinamide
CID 111306
Pyrrolidine-2-carboxamide
CID 550774
(2S)-N-methylpyrrolidine-2-carboxamide
CID 10374482
(2S)-aminobutyryl-L-prolinamide
CID 11579307
L-norvalyl-L-prolinamide
CID 11687141
(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969
N-Acetylprolinamide
CID 85395
Prolinamide, D-
CID 447554
(2R)-1-acetyl-N-methylpyrrolidine-2-carboxamide
CID 45116029
(2S)-N-methylpyrrolidine-2-carboxamide hydrochloride
CID 18664331
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide
CID 11902966
(2S)-N,N-dimethylpyrrolidine-2-carboxamide
CID 7408249

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of 1-ethyl-4-fluoropyrrolidine-2-carboxamide (CID 77234857) is 1-ethyl-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for 1-ethyl-4-fluoropyrrolidine-2-carboxamide is CCN1CC(F)CC1C(N)=O.
What is the InChIKey of 1-ethyl-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is ZPLRHYODVUIIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-2-10-4-5(8)3-6(10)7(9)11/h5-6H,2-4H2,1H3,(H2,9,11).
What are the key properties of 1-ethyl-4-fluoropyrrolidine-2-carboxamide?
1-ethyl-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 160.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 77234857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).