2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C20H17N3O7 — CID 126395548

IUPAC2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(O)c1
InChIInChI=1S/C20H17N3O7/c1-28-12-3-6-15(17(9-12)23(26)27)19-8-5-14(30-19)11-21-22-20(25)16-7-4-13(29-2)10-18(16)24/h3-11,24H,1-2H3,(H,22,25)/b21-11-
InChIKeyGQFRPUVBCRTYPC-NHDPSOOVSA-N
MW411.37 g/mol
LogP3.34
Rot. Bonds7

About 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide

2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 126395548) has the molecular formula C20H17N3O7 and a molecular weight of 411.37 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID126395548
Molecular FormulaC20H17N3O7
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC Name2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(O)c1
InChIInChI=1S/C20H17N3O7/c1-28-12-3-6-15(17(9-12)23(26)27)19-8-5-14(30-19)11-21-22-20(25)16-7-4-13(29-2)10-18(16)24/h3-11,24H,1-2H3,(H,22,25)/b21-11-
InChIKeyGQFRPUVBCRTYPC-NHDPSOOVSA-N
XLogP3.34
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397426
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6005479
N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6055073
2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 126396561
4-bromo-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126338945
N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide
CID 126152303
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395934
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126054425
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126398281
2-(4-bromoanilino)-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126365345
2-chloro-N-[1-[2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3506541
N-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-N-methylmethanamine
CID 3674969

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 126395548) is 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is GQFRPUVBCRTYPC-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H17N3O7/c1-28-12-3-6-15(17(9-12)23(26)27)19-8-5-14(30-19)11-21-22-20(25)16-7-4-13(29-2)10-18(16)24/h3-11,24H,1-2H3,(H,22,25)/b21-11-.
What are the key properties of 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 411.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 126395548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).