N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide

C22H17Cl2N5O — CID 152756713

IUPACN-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
SMILESO=C(NC(=NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C22H17Cl2N5O/c23-19-10-4-6-16(12-19)14-25-28-22(27-21(30)18-8-2-1-3-9-18)29-26-15-17-7-5-11-20(24)13-17/h1-15H,(H2,27,28,29,30)
InChIKeyJSAWEFFBLFUMEF-UHFFFAOYSA-N
MW438.32 g/mol
LogP4.74
Rot. Bonds5

About N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide

N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide (PubChem CID 152756713) has the molecular formula C22H17Cl2N5O and a molecular weight of 438.32 g/mol. Its IUPAC name is N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
PubChem CID152756713
Molecular FormulaC22H17Cl2N5O
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC NameN-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
SMILESO=C(NC(=NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C22H17Cl2N5O/c23-19-10-4-6-16(12-19)14-25-28-22(27-21(30)18-8-2-1-3-9-18)29-26-15-17-7-5-11-20(24)13-17/h1-15H,(H2,27,28,29,30)
InChIKeyJSAWEFFBLFUMEF-UHFFFAOYSA-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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Related Compounds

N-[(Z)-N'-[(E)-(4-chlorophenyl)methylideneamino]-N-[(E)-(4-cyanophenyl)methylideneamino]carbamimidoyl]benzamide
CID 135834222
N-[(Z)-N,N'-bis[(E)-(2-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
CID 135834187
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide
CID 135834176
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide
CID 135834188
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
N-[3-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3093122
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
N-[N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-3-chloro-4-methylbenzamide
CID 173463123
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450

Frequently Asked Questions

What is the IUPAC name of N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
The IUPAC name of N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide (CID 152756713) is N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide.
What is the SMILES notation for N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
The canonical SMILES for N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide is O=C(NC(=NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
The InChIKey is JSAWEFFBLFUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O/c23-19-10-4-6-16(12-19)14-25-28-22(27-21(30)18-8-2-1-3-9-18)29-26-15-17-7-5-11-20(24)13-17/h1-15H,(H2,27,28,29,30).
What are the key properties of N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide?
N-[N,N'-bis[(3-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-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide is sourced from PubChem (CID 152756713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).