N-carbamimidoyl-N-hydroxybenzamide

C8H9N3O2 — CID 142670447

IUPACN-carbamimidoyl-N-hydroxybenzamide
SMILES[H]/N=C(\N)N(O)C(=O)c1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(10)11(13)7(12)6-4-2-1-3-5-6/h1-5,13H,(H3,9,10)
InChIKeyJXTDQLIULHRNTM-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.41
Rot. Bonds1

About N-carbamimidoyl-N-hydroxybenzamide

N-carbamimidoyl-N-hydroxybenzamide (PubChem CID 142670447) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-carbamimidoyl-N-hydroxybenzamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-hydroxybenzamide
PubChem CID142670447
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-carbamimidoyl-N-hydroxybenzamide
SMILES[H]/N=C(\N)N(O)C(=O)c1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(10)11(13)7(12)6-4-2-1-3-5-6/h1-5,13H,(H3,9,10)
InChIKeyJXTDQLIULHRNTM-UHFFFAOYSA-N
XLogP0.41
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-carbamimidoyl-N-fluorobenzamide
CID 140974582
1-benzoyl-1-(dimethylamino)guanidine
CID 67736617
N-carbamimidoyl-N-ethylbenzamide
CID 138105289
2-imino-2-phenylacetamide
CID 18431878
1,1-dibenzylguanidine
CID 9487
benzenecarboximidamide;sulfane
CID 172701796
N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide
CID 70407062
benzenecarboximidamide;hydron;chloride
CID 66824376
benzenecarboximidamide;propanoic acid
CID 159833627
1-acetamido-1-phenylguanidine
CID 54163778
(N-carbamimidoylanilino) acetate
CID 141487567
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-hydroxybenzamide?
The IUPAC name of N-carbamimidoyl-N-hydroxybenzamide (CID 142670447) is N-carbamimidoyl-N-hydroxybenzamide.
What is the SMILES notation for N-carbamimidoyl-N-hydroxybenzamide?
The canonical SMILES for N-carbamimidoyl-N-hydroxybenzamide is [H]/N=C(\N)N(O)C(=O)c1ccccc1.
What is the InChIKey of N-carbamimidoyl-N-hydroxybenzamide?
The InChIKey is JXTDQLIULHRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(10)11(13)7(12)6-4-2-1-3-5-6/h1-5,13H,(H3,9,10).
What are the key properties of N-carbamimidoyl-N-hydroxybenzamide?
N-carbamimidoyl-N-hydroxybenzamide has a molecular weight of 179.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-hydroxybenzamide is sourced from PubChem (CID 142670447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).