N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide

C22H16Cl2IN5O — CID 135834176

IUPACN-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide
SMILESO=C(N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C22H16Cl2IN5O/c23-18-7-1-15(2-8-18)13-26-29-22(28-21(31)17-5-11-20(25)12-6-17)30-27-14-16-3-9-19(24)10-4-16/h1-14H,(H2,28,29,30,31)/b26-13+,27-14+
InChIKeyHJPDHHARHAVFHN-BMNRKXRESA-N
MW564.21 g/mol
LogP5.34
Rot. Bonds5

About N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide

N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide (PubChem CID 135834176) has the molecular formula C22H16Cl2IN5O and a molecular weight of 564.21 g/mol. Its IUPAC name is N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide
PubChem CID135834176
Molecular FormulaC22H16Cl2IN5O
Molecular Weight564.21 g/mol
Exact Mass562.98
IUPAC NameN-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide
SMILESO=C(N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C22H16Cl2IN5O/c23-18-7-1-15(2-8-18)13-26-29-22(28-21(31)17-5-11-20(25)12-6-17)30-27-14-16-3-9-19(24)10-4-16/h1-14H,(H2,28,29,30,31)/b26-13+,27-14+
InChIKeyHJPDHHARHAVFHN-BMNRKXRESA-N
XLogP5.34
TPSA78.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.21
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-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

N-[N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-3-chloro-4-methylbenzamide
CID 173463123
N-[(Z)-N'-[(E)-(4-chlorophenyl)methylideneamino]-N-[(E)-(4-cyanophenyl)methylideneamino]carbamimidoyl]benzamide
CID 135834222
N-[N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]acetamide;hydrochloride
CID 173457720
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide
CID 135834188
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-3-chloro-4-methoxybenzamide
CID 135834221
N-[N,N'-bis[(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-hexoxybenzamide
CID 152760572
N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
CID 152756713
N-[N,N'-bis[(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,3-dimethylbenzamide
CID 152752049
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide?
The IUPAC name of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide (CID 135834176) is N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide.
What is the SMILES notation for N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide?
The canonical SMILES for N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide is O=C(N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1)c1ccc(I)cc1.
What is the InChIKey of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide?
The InChIKey is HJPDHHARHAVFHN-BMNRKXRESA-N. The full InChI is InChI=1S/C22H16Cl2IN5O/c23-18-7-1-15(2-8-18)13-26-29-22(28-21(31)17-5-11-20(25)12-6-17)30-27-14-16-3-9-19(24)10-4-16/h1-14H,(H2,28,29,30,31)/b26-13+,27-14+.
What are the key properties of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide?
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide has a molecular weight of 564.21 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide is sourced from PubChem (CID 135834176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).