N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide

C11H14FN3O — CID 81310935

IUPACN-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNc1cccc(F)c1NC(=O)N1CCCC1
InChIInChI=1S/C11H14FN3O/c12-8-4-3-5-9(13)10(8)14-11(16)15-6-1-2-7-15/h3-5H,1-2,6-7,13H2,(H,14,16)
InChIKeyXDDWBALAGVYKDT-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.04
Rot. Bonds1

About N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide

N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 81310935) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID81310935
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC NameN-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNc1cccc(F)c1NC(=O)N1CCCC1
InChIInChI=1S/C11H14FN3O/c12-8-4-3-5-9(13)10(8)14-11(16)15-6-1-2-7-15/h3-5H,1-2,6-7,13H2,(H,14,16)
InChIKeyXDDWBALAGVYKDT-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide (CID 81310935) is N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide is Nc1cccc(F)c1NC(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is XDDWBALAGVYKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-4-3-5-9(13)10(8)14-11(16)15-6-1-2-7-15/h3-5H,1-2,6-7,13H2,(H,14,16).
What are the key properties of N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide?
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 81310935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).