N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C18H13N3O4 — CID 5333131

IUPACN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1
InChIInChI=1S/C18H13N3O4/c22-18(14-4-2-1-3-5-14)20-19-12-16-10-11-17(25-16)13-6-8-15(9-7-13)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKeyIZXXSMPFJYXGFJ-XDHOZWIPSA-N
MW335.32 g/mol
LogP3.62
Rot. Bonds5

About N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide

N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 5333131) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID5333131
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1
InChIInChI=1S/C18H13N3O4/c22-18(14-4-2-1-3-5-14)20-19-12-16-10-11-17(25-16)13-6-8-15(9-7-13)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKeyIZXXSMPFJYXGFJ-XDHOZWIPSA-N
XLogP3.62
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.62
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-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846761
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215771
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 5440764
2-[5-[(Z)-(benzoylhydrazinylidene)methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126145602
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 6873079
N-[3-[2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 4307782
3-(diethylsulfamoyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6893231

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 5333131) is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1.
What is the InChIKey of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is IZXXSMPFJYXGFJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-18(14-4-2-1-3-5-14)20-19-12-16-10-11-17(25-16)13-6-8-15(9-7-13)21(23)24/h1-12H,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 335.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 5333131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).