N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

C25H25Cl2N4O+ — CID 7087978

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24Cl2N4O/c26-22-11-10-21(24(27)16-22)17-28-29-25(32)20-8-6-19(7-9-20)18-30-12-14-31(15-13-30)23-4-2-1-3-5-23/h1-11,16-17H,12-15,18H2,(H,29,32)/p+1/b28-17-
InChIKeyZZOBZXXQXUFFIS-QRQIAZFYSA-O
MW468.41 g/mol
LogP3.66
Rot. Bonds6

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide (PubChem CID 7087978) has the molecular formula C25H25Cl2N4O+ and a molecular weight of 468.41 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide
PubChem CID7087978
Molecular FormulaC25H25Cl2N4O+
Molecular Weight468.41 g/mol
Exact Mass467.14
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24Cl2N4O/c26-22-11-10-21(24(27)16-22)17-28-29-25(32)20-8-6-19(7-9-20)18-30-12-14-31(15-13-30)23-4-2-1-3-5-23/h1-11,16-17H,12-15,18H2,(H,29,32)/p+1/b28-17-
InChIKeyZZOBZXXQXUFFIS-QRQIAZFYSA-O
XLogP3.66
TPSA49.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6181128
N-[(Z)-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 98058689
N-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 5094627
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 3663475
methyl 4-[(Z)-[[4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoyl]hydrazinylidene]methyl]benzoate
CID 7088024
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 170856300
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
N-[(Z)-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 98058688
4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 2467224

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide (CID 7087978) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide?
The InChIKey is ZZOBZXXQXUFFIS-QRQIAZFYSA-O. The full InChI is InChI=1S/C25H24Cl2N4O/c26-22-11-10-21(24(27)16-22)17-28-29-25(32)20-8-6-19(7-9-20)18-30-12-14-31(15-13-30)23-4-2-1-3-5-23/h1-11,16-17H,12-15,18H2,(H,29,32)/p+1/b28-17-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide has a molecular weight of 468.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide is sourced from PubChem (CID 7087978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).