1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide

C22H14Cl4N4O2 — CID 6894297

IUPAC1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H14Cl4N4O2/c23-17-7-5-15(19(25)9-17)11-27-29-21(31)13-1-2-14(4-3-13)22(32)30-28-12-16-6-8-18(24)10-20(16)26/h1-12H,(H,29,31)(H,30,32)/b27-11+,28-12+
InChIKeyFCXUCKNNWFKCEE-NXMZODBASA-N
MW508.19 g/mol
LogP5.83
Rot. Bonds6

About 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 6894297) has the molecular formula C22H14Cl4N4O2 and a molecular weight of 508.19 g/mol. Its IUPAC name is 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
PubChem CID6894297
Molecular FormulaC22H14Cl4N4O2
Molecular Weight508.19 g/mol
Exact Mass505.99
IUPAC Name1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H14Cl4N4O2/c23-17-7-5-15(19(25)9-17)11-27-29-21(31)13-1-2-14(4-3-13)22(32)30-28-12-16-6-8-18(24)10-20(16)26/h1-12H,(H,29,31)(H,30,32)/b27-11+,28-12+
InChIKeyFCXUCKNNWFKCEE-NXMZODBASA-N
XLogP5.83
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.19
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
4-[(4-bromobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836337
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide
CID 4256811
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide (CID 6894297) is 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is FCXUCKNNWFKCEE-NXMZODBASA-N. The full InChI is InChI=1S/C22H14Cl4N4O2/c23-17-7-5-15(19(25)9-17)11-27-29-21(31)13-1-2-14(4-3-13)22(32)30-28-12-16-6-8-18(24)10-20(16)26/h1-12H,(H,29,31)(H,30,32)/b27-11+,28-12+.
What are the key properties of 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 508.19 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 6894297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).