1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

C12H14FN3O3 — CID 62680969

IUPAC1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H14FN3O3/c13-8-3-6(1-2-9(8)14)12(19)16-5-7(17)4-10(16)11(15)18/h1-3,7,10,17H,4-5,14H2,(H2,15,18)
InChIKeyQLQMXHWIKGWPSH-UHFFFAOYSA-N
MW267.26 g/mol
LogP-0.53
Rot. Bonds2

About 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 62680969) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID62680969
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H14FN3O3/c13-8-3-6(1-2-9(8)14)12(19)16-5-7(17)4-10(16)11(15)18/h1-3,7,10,17H,4-5,14H2,(H2,15,18)
InChIKeyQLQMXHWIKGWPSH-UHFFFAOYSA-N
XLogP-0.53
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (CID 62680969) is 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QLQMXHWIKGWPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-8-3-6(1-2-9(8)14)12(19)16-5-7(17)4-10(16)11(15)18/h1-3,7,10,17H,4-5,14H2,(H2,15,18).
What are the key properties of 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 267.26 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 62680969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).