5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

C15H13FN2O3 — CID 115298806

IUPAC5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C15H13FN2O3/c1-9(18-21)10-2-5-12(6-3-10)17-15(20)13-8-11(16)4-7-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9-
InChIKeyVGSYNDRMWQDYRZ-NVMNQCDNSA-N
MW288.28 g/mol
LogP2.98
Rot. Bonds3

About 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 115298806) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID115298806
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2cc(F)ccc2O)cc1
InChIInChI=1S/C15H13FN2O3/c1-9(18-21)10-2-5-12(6-3-10)17-15(20)13-8-11(16)4-7-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9-
InChIKeyVGSYNDRMWQDYRZ-NVMNQCDNSA-N
XLogP2.98
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2,4-difluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24697449
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
N-(4-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532343
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
4-chloro-3-fluoro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107988434
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 115298806) is 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/O)c1ccc(NC(=O)c2cc(F)ccc2O)cc1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is VGSYNDRMWQDYRZ-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9(18-21)10-2-5-12(6-3-10)17-15(20)13-8-11(16)4-7-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9-.
What are the key properties of 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 288.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 115298806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).