3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

C12H8ClN3O4 — CID 721907

IUPAC3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cccc(Cl)c1
InChIInChI=1S/C12H8ClN3O4/c13-9-3-1-2-8(6-9)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h1-7H,(H,15,17)
InChIKeyOZUAUSXLSGIQMA-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 721907) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID721907
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC Name3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cccc(Cl)c1
InChIInChI=1S/C12H8ClN3O4/c13-9-3-1-2-8(6-9)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h1-7H,(H,15,17)
InChIKeyOZUAUSXLSGIQMA-UHFFFAOYSA-N
XLogP2.61
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.61
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-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3-chlorobenzamide
CID 6154396
N-[(5-nitrofuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2355965
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 5404739
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
1-[(2,4-dichlorobenzoyl)amino]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 73053560

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 721907) is 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is OZUAUSXLSGIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-9-3-1-2-8(6-9)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h1-7H,(H,15,17).
What are the key properties of 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 293.67 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 721907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).