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

C19H13Cl2N3O5 — CID 126229875

IUPACN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H13Cl2N3O5/c1-28-17-6-3-12(24(26)27)9-15(17)19(25)23-22-10-13-4-7-18(29-13)14-5-2-11(20)8-16(14)21/h2-10H,1H3,(H,23,25)/b22-10-
InChIKeyGXUMPFOVSUOBFT-YVNNLAQVSA-N
MW434.24 g/mol
LogP4.93
Rot. Bonds6

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

N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide (PubChem CID 126229875) has the molecular formula C19H13Cl2N3O5 and a molecular weight of 434.24 g/mol. Its IUPAC name is N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
PubChem CID126229875
Molecular FormulaC19H13Cl2N3O5
Molecular Weight434.24 g/mol
Exact Mass433.02
IUPAC NameN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H13Cl2N3O5/c1-28-17-6-3-12(24(26)27)9-15(17)19(25)23-22-10-13-4-7-18(29-13)14-5-2-11(20)8-16(14)21/h2-10H,1H3,(H,23,25)/b22-10-
InChIKeyGXUMPFOVSUOBFT-YVNNLAQVSA-N
XLogP4.93
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6058975
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180869
N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060930
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126091189
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 4134120
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide (CID 126229875) is N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide?
The InChIKey is GXUMPFOVSUOBFT-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5/c1-28-17-6-3-12(24(26)27)9-15(17)19(25)23-22-10-13-4-7-18(29-13)14-5-2-11(20)8-16(14)21/h2-10H,1H3,(H,23,25)/b22-10-.
What are the key properties of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide?
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide has a molecular weight of 434.24 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 126229875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).