N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide

C22H15Cl4N5O — CID 135834188

IUPACN-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide
SMILESO=C(N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H15Cl4N5O/c23-16-5-1-14(2-6-16)12-27-30-22(31-28-13-15-3-7-17(24)8-4-15)29-21(32)19-10-9-18(25)11-20(19)26/h1-13H,(H2,29,30,31,32)/b27-12+,28-13+
InChIKeyDCEAGDRGYCXREJ-ZDMXEENZSA-N
MW507.21 g/mol
LogP6.04
Rot. Bonds5

About N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide

N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide (PubChem CID 135834188) has the molecular formula C22H15Cl4N5O and a molecular weight of 507.21 g/mol. Its IUPAC name is N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide
PubChem CID135834188
Molecular FormulaC22H15Cl4N5O
Molecular Weight507.21 g/mol
Exact Mass505.00
IUPAC NameN-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide
SMILESO=C(N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H15Cl4N5O/c23-16-5-1-14(2-6-16)12-27-30-22(31-28-13-15-3-7-17(24)8-4-15)29-21(32)19-10-9-18(25)11-20(19)26/h1-13H,(H2,29,30,31,32)/b27-12+,28-13+
InChIKeyDCEAGDRGYCXREJ-ZDMXEENZSA-N
XLogP6.04
TPSA78.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.21
LogP ≤ 56.04
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-[N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]acetamide;hydrochloride
CID 173457720
N-[N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-3-chloro-4-methylbenzamide
CID 173463123
N-[N,N'-bis[(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,3-dimethylbenzamide
CID 152752049
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-iodobenzamide
CID 135834176
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-3-chloro-4-methoxybenzamide
CID 135834221
N-[(Z)-N'-[(E)-(4-chlorophenyl)methylideneamino]-N-[(E)-(4-cyanophenyl)methylideneamino]carbamimidoyl]benzamide
CID 135834222
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
N-[N,N'-bis[(3-chlorophenyl)methylideneamino]carbamimidoyl]benzamide
CID 152756713
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-2,4-dichlorobenzamide
CID 5031566
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
N-[N,N'-bis[(4-chlorophenyl)methylideneamino]carbamimidoyl]-4-hexoxybenzamide
CID 152760572

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide (CID 135834188) is N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide is O=C(N/C(=N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide?
The InChIKey is DCEAGDRGYCXREJ-ZDMXEENZSA-N. The full InChI is InChI=1S/C22H15Cl4N5O/c23-16-5-1-14(2-6-16)12-27-30-22(31-28-13-15-3-7-17(24)8-4-15)29-21(32)19-10-9-18(25)11-20(19)26/h1-13H,(H2,29,30,31,32)/b27-12+,28-13+.
What are the key properties of N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide?
N-[(Z)-N,N'-bis[(E)-(4-chlorophenyl)methylideneamino]carbamimidoyl]-2,4-dichlorobenzamide has a molecular weight of 507.21 g/mol, XLogP of 6.04, 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]-2,4-dichlorobenzamide is sourced from PubChem (CID 135834188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).