2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide

C13H16FN3O3 — CID 83073858

IUPAC2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])CCCN1
InChIInChI=1S/C13H16FN3O3/c1-2-13(6-3-7-15-13)12(18)16-10-8-9(14)4-5-11(10)17(19)20/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyWOQSZIIMRPDFHI-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.20
Rot. Bonds4

About 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 83073858) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID83073858
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])CCCN1
InChIInChI=1S/C13H16FN3O3/c1-2-13(6-3-7-15-13)12(18)16-10-8-9(14)4-5-11(10)17(19)20/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyWOQSZIIMRPDFHI-UHFFFAOYSA-N
XLogP2.20
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
CID 110461317
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide (CID 83073858) is 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cc(F)ccc2[N+](=O)[O-])CCCN1.
What is the InChIKey of 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is WOQSZIIMRPDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-2-13(6-3-7-15-13)12(18)16-10-8-9(14)4-5-11(10)17(19)20/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83073858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).