N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide

C15H14IN3O2 — CID 76935496

IUPACN-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
SMILESCc1ccc(C(N)=NO)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H14IN3O2/c1-9-2-3-11(14(17)19-21)8-13(9)18-15(20)10-4-6-12(16)7-5-10/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyYUNDIKQTUTVHEF-UHFFFAOYSA-N
MW395.20 g/mol
LogP2.95
Rot. Bonds3

About N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide

N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide (PubChem CID 76935496) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
PubChem CID76935496
Molecular FormulaC15H14IN3O2
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC NameN-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
SMILESCc1ccc(C(N)=NO)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H14IN3O2/c1-9-2-3-11(14(17)19-21)8-13(9)18-15(20)10-4-6-12(16)7-5-10/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyYUNDIKQTUTVHEF-UHFFFAOYSA-N
XLogP2.95
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 52.95
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'}

Analyze N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935592
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-3-carboxamide
CID 76935512
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
N-(5-bromo-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43806257
3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935570
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061535
ethyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 76935517
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 77112237
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]butanamide
CID 62104147
1,1-diethyl-3-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]urea
CID 79162284
5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide
CID 79085708
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226

Frequently Asked Questions

What is the IUPAC name of N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide?
The IUPAC name of N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide (CID 76935496) is N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide.
What is the SMILES notation for N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide?
The canonical SMILES for N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide is Cc1ccc(C(N)=NO)cc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide?
The InChIKey is YUNDIKQTUTVHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O2/c1-9-2-3-11(14(17)19-21)8-13(9)18-15(20)10-4-6-12(16)7-5-10/h2-8,21H,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide?
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide has a molecular weight of 395.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide is sourced from PubChem (CID 76935496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).