N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide

C15H14IN3O2 — CID 76932775

IUPACN-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
SMILESNC(=NO)c1cccc(CNC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H14IN3O2/c16-13-6-2-5-12(8-13)15(20)18-9-10-3-1-4-11(7-10)14(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20)
InChIKeyZPSPAMJCKGWJIE-UHFFFAOYSA-N
MW395.20 g/mol
LogP2.32
Rot. Bonds4

About N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide

N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide (PubChem CID 76932775) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
PubChem CID76932775
Molecular FormulaC15H14IN3O2
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC NameN-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
SMILESNC(=NO)c1cccc(CNC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H14IN3O2/c16-13-6-2-5-12(8-13)15(20)18-9-10-3-1-4-11(7-10)14(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20)
InChIKeyZPSPAMJCKGWJIE-UHFFFAOYSA-N
XLogP2.32
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 52.32
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': 'iodine', '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-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]benzamide
CID 76932708
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-iodobenzamide
CID 76932753
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 43156132
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-5-methylfuran-2-carboxamide
CID 76932654
3-[(E)-N'-hydroxycarbamimidoyl]-N-[(4-propylphenyl)methyl]benzamide
CID 59959770
N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
CID 76952651
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 76977810
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
CID 107809918
N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 107974233

Frequently Asked Questions

What is the IUPAC name of N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide?
The IUPAC name of N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide (CID 76932775) is N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide.
What is the SMILES notation for N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide?
The canonical SMILES for N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide is NC(=NO)c1cccc(CNC(=O)c2cccc(I)c2)c1.
What is the InChIKey of N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide?
The InChIKey is ZPSPAMJCKGWJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O2/c16-13-6-2-5-12(8-13)15(20)18-9-10-3-1-4-11(7-10)14(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20).
What are the key properties of N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide?
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide has a molecular weight of 395.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide is sourced from PubChem (CID 76932775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).