N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C15H14ClN3O2 — CID 43333029

IUPACN-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(/C(N)=N/O)cc2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c1-9-2-7-12(8-13(9)16)18-15(20)11-5-3-10(4-6-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyINYJNYCOWSSYON-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.00
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 43333029) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID43333029
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(/C(N)=N/O)cc2)cc1Cl
InChIInChI=1S/C15H14ClN3O2/c1-9-2-7-12(8-13(9)16)18-15(20)11-5-3-10(4-6-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20)
InChIKeyINYJNYCOWSSYON-UHFFFAOYSA-N
XLogP3.00
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.00
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-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 43333029) is N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is Cc1ccc(NC(=O)c2ccc(/C(N)=N/O)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is INYJNYCOWSSYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-2-7-12(8-13(9)16)18-15(20)11-5-3-10(4-6-11)14(17)19-21/h2-8,21H,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 303.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 43333029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).