4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide

C15H15N3O3 — CID 107672423

IUPAC4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H15N3O3/c1-9-7-12(19)5-6-13(9)15(20)17-11-4-2-3-10(8-11)14(16)18-21/h2-8,19,21H,1H3,(H2,16,18)(H,17,20)
InChIKeyRRAYFJHAIIUVCB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.05
Rot. Bonds3

About 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide

4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide (PubChem CID 107672423) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
PubChem CID107672423
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H15N3O3/c1-9-7-12(19)5-6-13(9)15(20)17-11-4-2-3-10(8-11)14(16)18-21/h2-8,19,21H,1H3,(H2,16,18)(H,17,20)
InChIKeyRRAYFJHAIIUVCB-UHFFFAOYSA-N
XLogP2.05
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.05
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-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107677292
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 114375212
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
CID 77072600
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930098
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015745
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 43333027

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide (CID 107672423) is 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide is Cc1cc(O)ccc1C(=O)Nc1cccc(/C(N)=N/O)c1.
What is the InChIKey of 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide?
The InChIKey is RRAYFJHAIIUVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-7-12(19)5-6-13(9)15(20)17-11-4-2-3-10(8-11)14(16)18-21/h2-8,19,21H,1H3,(H2,16,18)(H,17,20).
What are the key properties of 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide?
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 107672423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).