1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide

C24H20Cl2N4O2 — CID 5338733

IUPAC1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESC/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2N4O2/c1-15(17-7-11-21(25)12-8-17)27-29-23(31)19-3-5-20(6-4-19)24(32)30-28-16(2)18-9-13-22(26)14-10-18/h3-14H,1-2H3,(H,29,31)(H,30,32)/b27-15+,28-16+
InChIKeyZKZSIWSDEHCZLC-DPCVLPDWSA-N
MW467.36 g/mol
LogP5.30
Rot. Bonds6

About 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide (PubChem CID 5338733) has the molecular formula C24H20Cl2N4O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
PubChem CID5338733
Molecular FormulaC24H20Cl2N4O2
Molecular Weight467.36 g/mol
Exact Mass466.10
IUPAC Name1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESC/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2N4O2/c1-15(17-7-11-21(25)12-8-17)27-29-23(31)19-3-5-20(6-4-19)24(32)30-28-16(2)18-9-13-22(26)14-10-18/h3-14H,1-2H3,(H,29,31)(H,30,32)/b27-15+,28-16+
InChIKeyZKZSIWSDEHCZLC-DPCVLPDWSA-N
XLogP5.30
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.30
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

N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide (CID 5338733) is 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide is C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is ZKZSIWSDEHCZLC-DPCVLPDWSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2/c1-15(17-7-11-21(25)12-8-17)27-29-23(31)19-3-5-20(6-4-19)24(32)30-28-16(2)18-9-13-22(26)14-10-18/h3-14H,1-2H3,(H,29,31)(H,30,32)/b27-15+,28-16+.
What are the key properties of 1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 467.36 g/mol, XLogP of 5.30, 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)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 5338733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).