N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide

C22H17Cl2N5O — CID 135834187

IUPACN-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
SMILESO=C(N/C(=N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H17Cl2N5O/c23-19-12-6-4-10-17(19)14-25-28-22(27-21(30)16-8-2-1-3-9-16)29-26-15-18-11-5-7-13-20(18)24/h1-15H,(H2,27,28,29,30)/b25-14+,26-15+
InChIKeyBVLQXZCKQXKVGS-LVSXPEEVSA-N
MW438.32 g/mol
LogP4.74
Rot. Bonds5

About N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide

N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide (PubChem CID 135834187) has the molecular formula C22H17Cl2N5O and a molecular weight of 438.32 g/mol. Its IUPAC name is N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
PubChem CID135834187
Molecular FormulaC22H17Cl2N5O
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC NameN-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
SMILESO=C(N/C(=N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H17Cl2N5O/c23-19-12-6-4-10-17(19)14-25-28-22(27-21(30)16-8-2-1-3-9-16)29-26-15-18-11-5-7-13-20(18)24/h1-15H,(H2,27,28,29,30)/b25-14+,26-15+
InChIKeyBVLQXZCKQXKVGS-LVSXPEEVSA-N
XLogP4.74
TPSA78.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 54.74
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
The IUPAC name of N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide (CID 135834187) is N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide.
What is the SMILES notation for N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
The canonical SMILES for N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide is O=C(N/C(=N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
The InChIKey is BVLQXZCKQXKVGS-LVSXPEEVSA-N. The full InChI is InChI=1S/C22H17Cl2N5O/c23-19-12-6-4-10-17(19)14-25-28-22(27-21(30)16-8-2-1-3-9-16)29-26-15-18-11-5-7-13-20(18)24/h1-15H,(H2,27,28,29,30)/b25-14+,26-15+.
What are the key properties of N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide has a molecular weight of 438.32 g/mol, XLogP of 4.74, 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)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide is sourced from PubChem (CID 135834187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).