(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C11H13FN2O2 — CID 94895188

IUPAC(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C11H13FN2O2/c12-9-5-7(1-2-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m1/s1
InChIKeyPGSCSLSEEXBQMX-MRVPVSSYSA-N
MW224.24 g/mol
LogP0.61
Rot. Bonds1

About (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 94895188) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID94895188
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C11H13FN2O2/c12-9-5-7(1-2-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m1/s1
InChIKeyPGSCSLSEEXBQMX-MRVPVSSYSA-N
XLogP0.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[4-amino-3-(trifluoromethyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942525
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
(3-fluoro-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561545
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 79773812
[3-amino-4-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55131345
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407102

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 94895188) is (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Nc1ccc(C(=O)N2CC[C@@H](O)C2)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is PGSCSLSEEXBQMX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-9-5-7(1-2-10(9)13)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m1/s1.
What are the key properties of (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 224.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 94895188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).