4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide

C14H9ClFN3O3 — CID 5416770

IUPAC4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClFN3O3/c15-12-6-3-10(7-13(12)19(21)22)14(20)18-17-8-9-1-4-11(16)5-2-9/h1-8H,(H,18,20)/b17-8-
InChIKeyNZTSNYQIQNWQFZ-IUXPMGMMSA-N
MW321.70 g/mol
LogP3.15
Rot. Bonds4

About 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide

4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 5416770) has the molecular formula C14H9ClFN3O3 and a molecular weight of 321.70 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide
PubChem CID5416770
Molecular FormulaC14H9ClFN3O3
Molecular Weight321.70 g/mol
Exact Mass321.03
IUPAC Name4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClFN3O3/c15-12-6-3-10(7-13(12)19(21)22)14(20)18-17-8-9-1-4-11(16)5-2-9/h1-8H,(H,18,20)/b17-8-
InChIKeyNZTSNYQIQNWQFZ-IUXPMGMMSA-N
XLogP3.15
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[(E)-(2-nitrophenyl)methylidene]benzohydrazide
CID 5332530
N'-(4-Nitrobenzylidene)benzohydrazide
CID 6861632
n'-(3-Nitrobenzylidene)benzohydrazide
CID 6861631
N'-(2-methyl-3-phenyl-2-propen-1-ylidene)-3-nitrobenzohydrazide
CID 5333962
N'-(2,4-dichlorobenzylidene)-3-nitrobenzohydrazide
CID 5332275
4-Methyl-N'-(3-nitrobenzylidene)benzohydrazide
CID 5335160
4-Chloro-N'-(3-nitrobenzylidene)benzohydrazide
CID 6862802
N-[(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 220939
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 6902082
4-chloro-N-[(E)-[(1E)-1-[(4-nitrophenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 145970543
3-nitro-N'-[(E)-(3-nitrophenyl)methylidene]benzohydrazide
CID 6870679
4-Fluoro-N'-[(E)-(3-nitrophenyl)methylidene]benzohydrazide
CID 6898827

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide (CID 5416770) is 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is NZTSNYQIQNWQFZ-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H9ClFN3O3/c15-12-6-3-10(7-13(12)19(21)22)14(20)18-17-8-9-1-4-11(16)5-2-9/h1-8H,(H,18,20)/b17-8-.
What are the key properties of 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide?
4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 321.70 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 5416770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).