N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline

C17H11Cl2N3O3 — CID 6063608

IUPACN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H11Cl2N3O3/c18-11-1-7-15(16(19)9-11)17-8-6-14(25-17)10-20-21-12-2-4-13(5-3-12)22(23)24/h1-10,21H/b20-10-
InChIKeyCOHXYAIAOKDVTK-JMIUGGIZSA-N
MW376.20 g/mol
LogP5.61
Rot. Bonds5

About N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline

N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline (PubChem CID 6063608) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
PubChem CID6063608
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC NameN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C17H11Cl2N3O3/c18-11-1-7-15(16(19)9-11)17-8-6-14(25-17)10-20-21-12-2-4-13(5-3-12)22(23)24/h1-10,21H/b20-10-
InChIKeyCOHXYAIAOKDVTK-JMIUGGIZSA-N
XLogP5.61
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.20
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-chloro-N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7640468
3-chloro-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7227483
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
3,4-dichloro-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 46495621
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 2837615
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126229875
2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol
CID 7224716
1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine
CID 136832205
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline
CID 3392623

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
The IUPAC name of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline (CID 6063608) is N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline is O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
The InChIKey is COHXYAIAOKDVTK-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c18-11-1-7-15(16(19)9-11)17-8-6-14(25-17)10-20-21-12-2-4-13(5-3-12)22(23)24/h1-10,21H/b20-10-.
What are the key properties of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline?
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline has a molecular weight of 376.20 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline is sourced from PubChem (CID 6063608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).