N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C16H17N3O2 — CID 43333180

IUPACN-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-3-5-11(2)14(10)18-16(20)13-8-6-12(7-9-13)15(17)19-21/h3-9,21H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOMDHHMMHPYWRLU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.65
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 43333180) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID43333180
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C16H17N3O2/c1-10-4-3-5-11(2)14(10)18-16(20)13-8-6-12(7-9-13)15(17)19-21/h3-9,21H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyOMDHHMMHPYWRLU-UHFFFAOYSA-N
XLogP2.65
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.65
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'}

Analyze N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide 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

N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
N-(5-bromo-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43806257
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
CID 76935496
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 107586259

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 43333180) is N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is Cc1cccc(C)c1NC(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is OMDHHMMHPYWRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-3-5-11(2)14(10)18-16(20)13-8-6-12(7-9-13)15(17)19-21/h3-9,21H,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 43333180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).