1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide

C12H14FN3O3 — CID 107016253

IUPAC1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H14FN3O3/c13-7-3-4-8(10(17)6-7)12(18)16-5-1-2-9(16)11(14)15-19/h3-4,6,9,17,19H,1-2,5H2,(H2,14,15)
InChIKeyNQJQBPHIGZNYRJ-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.88
Rot. Bonds2

About 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide

1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 107016253) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID107016253
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H14FN3O3/c13-7-3-4-8(10(17)6-7)12(18)16-5-1-2-9(16)11(14)15-19/h3-4,6,9,17,19H,1-2,5H2,(H2,14,15)
InChIKeyNQJQBPHIGZNYRJ-UHFFFAOYSA-N
XLogP0.88
TPSA99.15 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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114345186
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
1-(4-fluoro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 107013626
1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069257
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
(4-fluoro-2-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933013
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
CID 77036206
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide (CID 107016253) is 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide is N/C(=N/O)C1CCCN1C(=O)c1ccc(F)cc1O.
What is the InChIKey of 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is NQJQBPHIGZNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-7-3-4-8(10(17)6-7)12(18)16-5-1-2-9(16)11(14)15-19/h3-4,6,9,17,19H,1-2,5H2,(H2,14,15).
What are the key properties of 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 267.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 107016253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).