4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide

C16H16N2O3 — CID 107671539

IUPAC4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2ccc(O)cc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-10-9-14(19)7-8-15(10)16(20)17-13-5-3-12(4-6-13)11(2)18-21/h3-9,19,21H,1-2H3,(H,17,20)/b18-11-
InChIKeyOHRLRWHRYOYZBP-WQRHYEAKSA-N
MW284.32 g/mol
LogP3.15
Rot. Bonds3

About 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide

4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide (PubChem CID 107671539) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
PubChem CID107671539
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2ccc(O)cc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-10-9-14(19)7-8-15(10)16(20)17-13-5-3-12(4-6-13)11(2)18-21/h3-9,19,21H,1-2H3,(H,17,20)/b18-11-
InChIKeyOHRLRWHRYOYZBP-WQRHYEAKSA-N
XLogP3.15
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.15
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

4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
2,4-difluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24697449
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682
5-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 115298806
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 107672423
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 107671542

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide (CID 107671539) is 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide is C/C(=N/O)c1ccc(NC(=O)c2ccc(O)cc2C)cc1.
What is the InChIKey of 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The InChIKey is OHRLRWHRYOYZBP-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-9-14(19)7-8-15(10)16(20)17-13-5-3-12(4-6-13)11(2)18-21/h3-9,19,21H,1-2H3,(H,17,20)/b18-11-.
What are the key properties of 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide has a molecular weight of 284.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 107671539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).