N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide

C14H9ClFN3O3 — CID 9016544

IUPACN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O3/c15-13-6-5-12(19(21)22)7-10(13)8-17-18-14(20)9-1-3-11(16)4-2-9/h1-8H,(H,18,20)/b17-8-
InChIKeyTULLUCYFXVHOHT-IUXPMGMMSA-N
MW321.70 g/mol
LogP3.15
Rot. Bonds4

About N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 9016544) has the molecular formula C14H9ClFN3O3 and a molecular weight of 321.70 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
PubChem CID9016544
Molecular FormulaC14H9ClFN3O3
Molecular Weight321.70 g/mol
Exact Mass321.03
IUPAC NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O3/c15-13-6-5-12(19(21)22)7-10(13)8-17-18-14(20)9-1-3-11(16)4-2-9/h1-8H,(H,18,20)/b17-8-
InChIKeyTULLUCYFXVHOHT-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-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998216
N-[(2-chloro-5-nitrophenyl)methylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929895
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 5401153
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 126189353
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide (CID 9016544) is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide is O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is TULLUCYFXVHOHT-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H9ClFN3O3/c15-13-6-5-12(19(21)22)7-10(13)8-17-18-14(20)9-1-3-11(16)4-2-9/h1-8H,(H,18,20)/b17-8-.
What are the key properties of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide?
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide 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 N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 9016544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).