2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide

C14H12FN3O3 — CID 107677292

IUPAC2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2ccc(O)cc2F)cc1
InChIInChI=1S/C14H12FN3O3/c15-12-7-10(19)5-6-11(12)14(20)17-9-3-1-8(2-4-9)13(16)18-21/h1-7,19,21H,(H2,16,18)(H,17,20)
InChIKeyMKFIELJDBRSADP-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.88
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide

2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (PubChem CID 107677292) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
PubChem CID107677292
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2ccc(O)cc2F)cc1
InChIInChI=1S/C14H12FN3O3/c15-12-7-10(19)5-6-11(12)14(20)17-9-3-1-8(2-4-9)13(16)18-21/h1-7,19,21H,(H2,16,18)(H,17,20)
InChIKeyMKFIELJDBRSADP-UHFFFAOYSA-N
XLogP1.88
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.88
H-Bond Donors ≤ 54
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

2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76948104
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 107672423
N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide
CID 107674599
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
2,4-difluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24697449
2-fluoro-4-hydroxy-N-[4-(methylaminomethyl)phenyl]benzamide
CID 107675639
2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107690793
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
4-bromo-N-(4-carbamothioylphenyl)-2-fluorobenzamide
CID 28539669

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (CID 107677292) is 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is N/C(=N/O)c1ccc(NC(=O)c2ccc(O)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The InChIKey is MKFIELJDBRSADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-12-7-10(19)5-6-11(12)14(20)17-9-3-1-8(2-4-9)13(16)18-21/h1-7,19,21H,(H2,16,18)(H,17,20).
What are the key properties of 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide has a molecular weight of 289.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is sourced from PubChem (CID 107677292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).