N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide

C11H14FN3O — CID 110481295

IUPACN-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNc1cc(F)ccc1NC(=O)C1CCCN1
InChIInChI=1S/C11H14FN3O/c12-7-3-4-9(8(13)6-7)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5,13H2,(H,15,16)
InChIKeyORZVIFCJQFHBCP-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.10
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide

N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 110481295) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID110481295
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC NameN-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNc1cc(F)ccc1NC(=O)C1CCCN1
InChIInChI=1S/C11H14FN3O/c12-7-3-4-9(8(13)6-7)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5,13H2,(H,15,16)
InChIKeyORZVIFCJQFHBCP-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 28939511
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 82015903
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide (CID 110481295) is N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide is Nc1cc(F)ccc1NC(=O)C1CCCN1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is ORZVIFCJQFHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-7-3-4-9(8(13)6-7)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5,13H2,(H,15,16).
What are the key properties of N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide?
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110481295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).