(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone

C11H13FN2O — CID 62650888

IUPAC(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1c(F)cccc1C(=O)N1CCCC1
InChIInChI=1S/C11H13FN2O/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7,13H2
InChIKeyGRKZLMWAADXYIH-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.64
Rot. Bonds1

About (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone

(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 62650888) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID62650888
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1c(F)cccc1C(=O)N1CCCC1
InChIInChI=1S/C11H13FN2O/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7,13H2
InChIKeyGRKZLMWAADXYIH-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-fluorophenyl)-thiomorpholin-4-ylmethanone
CID 62650571
(3-fluoro-2-iodophenyl)-pyrrolidin-1-ylmethanone
CID 155803238
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
(2-amino-3-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62775760
(2-amino-3-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625110
(2-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62648438
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(2-amino-3-fluorophenyl)methanone
CID 81108766
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
(2-fluoro-3-iodophenyl)-pyrrolidin-1-ylmethanone
CID 164895955

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone (CID 62650888) is (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone is Nc1c(F)cccc1C(=O)N1CCCC1.
What is the InChIKey of (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is GRKZLMWAADXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7,13H2.
What are the key properties of (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone?
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 208.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62650888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).