2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

C12H7Cl2N3O4 — CID 825585

IUPAC2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2N3O4/c13-7-1-3-9(10(14)5-7)12(18)16-15-6-8-2-4-11(21-8)17(19)20/h1-6H,(H,16,18)
InChIKeyIIKMLWNDOPTHOK-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.26
Rot. Bonds4

About 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide

2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 825585) has the molecular formula C12H7Cl2N3O4 and a molecular weight of 328.11 g/mol. Its IUPAC name is 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID825585
Molecular FormulaC12H7Cl2N3O4
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2N3O4/c13-7-1-3-9(10(14)5-7)12(18)16-15-6-8-2-4-11(21-8)17(19)20/h1-6H,(H,16,18)
InChIKeyIIKMLWNDOPTHOK-UHFFFAOYSA-N
XLogP3.26
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.26
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

1-[(2,4-dichlorobenzoyl)amino]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 73053560
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
CID 5413434
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
2,4-dichloro-N-[(E)-(5-methyl-7-nitro-1-benzofuran-2-yl)methylideneamino]benzamide
CID 133064909
2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 126396561
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2,4-dichloro-N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide
CID 6040520

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 825585) is 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is IIKMLWNDOPTHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O4/c13-7-1-3-9(10(14)5-7)12(18)16-15-6-8-2-4-11(21-8)17(19)20/h1-6H,(H,16,18).
What are the key properties of 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide?
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 328.11 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 825585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).