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

C13H11N3O6 — CID 126396561

IUPAC2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c(O)c1
InChIInChI=1S/C13H11N3O6/c1-21-8-2-4-10(11(17)6-8)13(18)15-14-7-9-3-5-12(22-9)16(19)20/h2-7,17H,1H3,(H,15,18)/b14-7-
InChIKeyMWVUKZQVHRNIIC-AUWJEWJLSA-N
MW305.25 g/mol
LogP1.67
Rot. Bonds5

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

2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 126396561) has the molecular formula C13H11N3O6 and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID126396561
Molecular FormulaC13H11N3O6
Molecular Weight305.25 g/mol
Exact Mass305.06
IUPAC Name2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c(O)c1
InChIInChI=1S/C13H11N3O6/c1-21-8-2-4-10(11(17)6-8)13(18)15-14-7-9-3-5-12(22-9)16(19)20/h2-7,17H,1H3,(H,15,18)/b14-7-
InChIKeyMWVUKZQVHRNIIC-AUWJEWJLSA-N
XLogP1.67
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397426
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126398281
N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395934
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396318

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 126396561) is 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is MWVUKZQVHRNIIC-AUWJEWJLSA-N. The full InChI is InChI=1S/C13H11N3O6/c1-21-8-2-4-10(11(17)6-8)13(18)15-14-7-9-3-5-12(22-9)16(19)20/h2-7,17H,1H3,(H,15,18)/b14-7-.
What are the key properties of 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 305.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 126396561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).