2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide

C16H16N2O3 — CID 43185521

IUPAC2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
SMILESC/C(=N\O)c1ccccc1NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C16H16N2O3/c1-10-7-8-15(19)13(9-10)16(20)17-14-6-4-3-5-12(14)11(2)18-21/h3-9,19,21H,1-2H3,(H,17,20)/b18-11+
InChIKeyXURQJGNPGTVAPO-WOJGMQOQSA-N
MW284.32 g/mol
LogP3.15
Rot. Bonds3

About 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide

2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide (PubChem CID 43185521) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
PubChem CID43185521
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
SMILESC/C(=N\O)c1ccccc1NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C16H16N2O3/c1-10-7-8-15(19)13(9-10)16(20)17-14-6-4-3-5-12(14)11(2)18-21/h3-9,19,21H,1-2H3,(H,17,20)/b18-11+
InChIKeyXURQJGNPGTVAPO-WOJGMQOQSA-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

2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dimethylbenzamide
CID 24708814
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2-hydroxy-N-[2-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 61498041
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]phenyl]acetic acid
CID 62535909
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061609
2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide
CID 76945644
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 24698005

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide (CID 43185521) is 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide is C/C(=N\O)c1ccccc1NC(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide?
The InChIKey is XURQJGNPGTVAPO-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-8-15(19)13(9-10)16(20)17-14-6-4-3-5-12(14)11(2)18-21/h3-9,19,21H,1-2H3,(H,17,20)/b18-11+.
What are the key properties of 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide?
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-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 2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide is sourced from PubChem (CID 43185521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).