4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C8H9N3O2 — CID 21328277

IUPAC4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESNC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C8H9N3O2/c9-7(11-13)5-1-3-6(4-2-5)8(10)12/h1-4,13H,(H2,9,11)(H2,10,12)
InChIKeyAZTOWTOBHDLODP-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.12
Rot. Bonds2

About 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 21328277) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound Name4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID21328277
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESNC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C8H9N3O2/c9-7(11-13)5-1-3-6(4-2-5)8(10)12/h1-4,13H,(H2,9,11)(H2,10,12)
InChIKeyAZTOWTOBHDLODP-UHFFFAOYSA-N
XLogP-0.12
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 21328277) is 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is NC(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is AZTOWTOBHDLODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-7(11-13)5-1-3-6(4-2-5)8(10)12/h1-4,13H,(H2,9,11)(H2,10,12).
What are the key properties of 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
4-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 179.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 21328277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).