3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide

C14H12IN3O2 — CID 43332947

IUPAC3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
SMILESN/C(=N\O)c1cccc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C14H12IN3O2/c15-11-5-2-6-12(8-11)17-14(19)10-4-1-3-9(7-10)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19)
InChIKeyNPMPKFACZNFLQN-UHFFFAOYSA-N
MW381.17 g/mol
LogP2.64
Rot. Bonds3

About 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide

3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide (PubChem CID 43332947) has the molecular formula C14H12IN3O2 and a molecular weight of 381.17 g/mol. Its IUPAC name is 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
PubChem CID43332947
Molecular FormulaC14H12IN3O2
Molecular Weight381.17 g/mol
Exact Mass381.00
IUPAC Name3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
SMILESN/C(=N\O)c1cccc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C14H12IN3O2/c15-11-5-2-6-12(8-11)17-14(19)10-4-1-3-9(7-10)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19)
InChIKeyNPMPKFACZNFLQN-UHFFFAOYSA-N
XLogP2.64
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 52.64
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-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 43333027
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-iodobenzamide
CID 107809918
5-benzamido-1-N,3-N-bis(3-iodophenyl)benzene-1,3-dicarboxamide
CID 3501081
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
CID 76932775
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
CID 77072600
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide?
The IUPAC name of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide (CID 43332947) is 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide?
The canonical SMILES for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide is N/C(=N\O)c1cccc(C(=O)Nc2cccc(I)c2)c1.
What is the InChIKey of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide?
The InChIKey is NPMPKFACZNFLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O2/c15-11-5-2-6-12(8-11)17-14(19)10-4-1-3-9(7-10)13(16)18-20/h1-8,20H,(H2,16,18)(H,17,19).
What are the key properties of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide?
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide has a molecular weight of 381.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 43332947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).