N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide

C24H14Cl2N6O8 — CID 18530001

IUPACN-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C24H14Cl2N6O8/c25-19-5-1-13(31(35)36)9-17(19)21-7-3-15(39-21)11-27-29-23(33)24(34)30-28-12-16-4-8-22(40-16)18-10-14(32(37)38)2-6-20(18)26/h1-12H,(H,29,33)(H,30,34)/b27-11-,28-12+
InChIKeyRAZLFBVBPCQADK-FXGHDSEOSA-N
MW585.32 g/mol
LogP4.93
Rot. Bonds8

About N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide

N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide (PubChem CID 18530001) has the molecular formula C24H14Cl2N6O8 and a molecular weight of 585.32 g/mol. Its IUPAC name is N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
PubChem CID18530001
Molecular FormulaC24H14Cl2N6O8
Molecular Weight585.32 g/mol
Exact Mass584.03
IUPAC NameN-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C24H14Cl2N6O8/c25-19-5-1-13(31(35)36)9-17(19)21-7-3-15(39-21)11-27-29-23(33)24(34)30-28-12-16-4-8-22(40-16)18-10-14(32(37)38)2-6-20(18)26/h1-12H,(H,29,33)(H,30,34)/b27-11-,28-12+
InChIKeyRAZLFBVBPCQADK-FXGHDSEOSA-N
XLogP4.93
TPSA195.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.32
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846692
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3958569
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 171138890
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 6078144
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
3,4-dichloro-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 46495621
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657688
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline
CID 3392623
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 19577148
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126090958
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide
CID 6010515

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The IUPAC name of N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide (CID 18530001) is N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide.
What is the SMILES notation for N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The canonical SMILES for N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide is O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1.
What is the InChIKey of N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
The InChIKey is RAZLFBVBPCQADK-FXGHDSEOSA-N. The full InChI is InChI=1S/C24H14Cl2N6O8/c25-19-5-1-13(31(35)36)9-17(19)21-7-3-15(39-21)11-27-29-23(33)24(34)30-28-12-16-4-8-22(40-16)18-10-14(32(37)38)2-6-20(18)26/h1-12H,(H,29,33)(H,30,34)/b27-11-,28-12+.
What are the key properties of N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide?
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide has a molecular weight of 585.32 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide is sourced from PubChem (CID 18530001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).