2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide

C13H10ClN3O4 — CID 5413434

IUPAC2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C13H10ClN3O4/c1-8-2-4-10(21-8)7-15-16-13(18)11-5-3-9(17(19)20)6-12(11)14/h2-7H,1H3,(H,16,18)/b15-7-
InChIKeyDAWGDDWPSAZEEA-CHHVJCJISA-N
MW307.69 g/mol
LogP2.91
Rot. Bonds4

About 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide

2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide (PubChem CID 5413434) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
PubChem CID5413434
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C13H10ClN3O4/c1-8-2-4-10(21-8)7-15-16-13(18)11-5-3-9(17(19)20)6-12(11)14/h2-7H,1H3,(H,16,18)/b15-7-
InChIKeyDAWGDDWPSAZEEA-CHHVJCJISA-N
XLogP2.91
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.91
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

N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
2-chloro-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-nitrobenzamide
CID 6896329
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6058975
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
2-chloro-4-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126050897
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
2-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126047375
2-chloro-4-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 871807
2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
CID 4520200
2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7373569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide (CID 5413434) is 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide is Cc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide?
The InChIKey is DAWGDDWPSAZEEA-CHHVJCJISA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-8-2-4-10(21-8)7-15-16-13(18)11-5-3-9(17(19)20)6-12(11)14/h2-7H,1H3,(H,16,18)/b15-7-.
What are the key properties of 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide?
2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide has a molecular weight of 307.69 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 5413434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).