2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide

C14H13N3O4 — CID 107690793

IUPAC2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2c(O)cccc2O)cc1
InChIInChI=1S/C14H13N3O4/c15-13(17-21)8-4-6-9(7-5-8)16-14(20)12-10(18)2-1-3-11(12)19/h1-7,18-19,21H,(H2,15,17)(H,16,20)
InChIKeyOZXUZELNYHDAAV-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.44
Rot. Bonds3

About 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide

2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (PubChem CID 107690793) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
PubChem CID107690793
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
SMILESN/C(=N/O)c1ccc(NC(=O)c2c(O)cccc2O)cc1
InChIInChI=1S/C14H13N3O4/c15-13(17-21)8-4-6-9(7-5-8)16-14(20)12-10(18)2-1-3-11(12)19/h1-7,18-19,21H,(H2,15,17)(H,16,20)
InChIKeyOZXUZELNYHDAAV-UHFFFAOYSA-N
XLogP1.44
TPSA128.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
2,3-difluoro-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76948104
N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
2-[2-[[4-(N'-hydroxycarbamimidoyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 59879871
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
2-fluoro-4-hydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107677292
N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide
CID 6219246
4-hydroxy-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 107672423

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide (CID 107690793) is 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is N/C(=N/O)c1ccc(NC(=O)c2c(O)cccc2O)cc1.
What is the InChIKey of 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
The InChIKey is OZXUZELNYHDAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-13(17-21)8-4-6-9(7-5-8)16-14(20)12-10(18)2-1-3-11(12)19/h1-7,18-19,21H,(H2,15,17)(H,16,20).
What are the key properties of 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide?
2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide has a molecular weight of 287.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide is sourced from PubChem (CID 107690793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).