2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide

C20H12Cl4N4O3 — CID 6161327

IUPAC2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C20H12Cl4N4O3/c21-13-3-1-4-14(22)11(13)9-25-27-19(29)17-7-8-18(31-17)20(30)28-26-10-12-15(23)5-2-6-16(12)24/h1-10H,(H,27,29)(H,28,30)/b25-9-,26-10-
InChIKeyZLFYNJUBRYIVHX-UMOSFCNPSA-N
MW498.15 g/mol
LogP5.42
Rot. Bonds6

About 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide (PubChem CID 6161327) has the molecular formula C20H12Cl4N4O3 and a molecular weight of 498.15 g/mol. Its IUPAC name is 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
PubChem CID6161327
Molecular FormulaC20H12Cl4N4O3
Molecular Weight498.15 g/mol
Exact Mass495.97
IUPAC Name2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C20H12Cl4N4O3/c21-13-3-1-4-14(22)11(13)9-25-27-19(29)17-7-8-18(31-17)20(30)28-26-10-12-15(23)5-2-6-16(12)24/h1-10H,(H,27,29)(H,28,30)/b25-9-,26-10-
InChIKeyZLFYNJUBRYIVHX-UMOSFCNPSA-N
XLogP5.42
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.15
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-methylpropanamide
CID 14593053
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420026
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide (CID 6161327) is 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide is O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(C(=O)N/N=C\c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide?
The InChIKey is ZLFYNJUBRYIVHX-UMOSFCNPSA-N. The full InChI is InChI=1S/C20H12Cl4N4O3/c21-13-3-1-4-14(22)11(13)9-25-27-19(29)17-7-8-18(31-17)20(30)28-26-10-12-15(23)5-2-6-16(12)24/h1-10H,(H,27,29)(H,28,30)/b25-9-,26-10-.
What are the key properties of 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide has a molecular weight of 498.15 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 6161327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).